CAS
952569-58-3 Purity
96%
952569-58-3 Purity
96%
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Mk-0752
CAS
952578-68-6
Catalog Number
ACM952578686
Category
Other Products
Molecular Weight
442.903846 [g/mol]
Molecular Formula
C21H21ClF2O4S
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Specification
Synonyms
MK-0752, 471905-41-6, MK 0752, 471905-41-6, MK0752, MK 0752, 3-((1r,4s)-4-(4-chlorophenylsulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)propanoic acid, cc-14, SureCN756247, SureCN756248, SureCN756249, MK0752, RW3012, BCP9000935, BCP9000936, CS-0253, QC-1905, RL03744, NCGC00263184-01, HY-10974, X7591, L-000891675
IUPAC Name
3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoic acid
Canonical SMILES
C1CC(CCC1CCC(=O)O)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI Key
XCGJIFAKUZNNOR-UHFFFAOYSA-N
Boiling Point
616.9±55.0 °C (760 mmHg)
Melting Point
166.6-167.5 °C (isopropyl acetate/heptane)
Density
1.361±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
442.08200
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of MK-0752?
The molecular formula of MK-0752 is C21H21ClF2O4S.
What is the molecular weight of MK-0752?
The molecular weight of MK-0752 is 442.9 g/mol.
What is the IUPAC name of MK-0752?
The IUPAC name of MK-0752 is 3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoic acid.
What is the InChI of MK-0752?
The InChI of MK-0752 is InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26).
What is the InChIKey of MK-0752?
The InChIKey of MK-0752 is XCGJIFAKUZNNOR-UHFFFAOYSA-N.
What is the canonical SMILES of MK-0752?
The canonical SMILES of MK-0752 is C1CC(CCC1CCC(=O)O)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl.
What is the CAS number of MK-0752?
The CAS number of MK-0752 is 471905-41-6.
What is the UNII of MK-0752?
The UNII of MK-0752 is 9JD9B4S53T.
What is the ChEMBL ID of MK-0752?
The ChEMBL ID of MK-0752 is CHEMBL3392635.
What is the NCI Thesaurus Code of MK-0752?
The NCI Thesaurus Code of MK-0752 is C49175.
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