Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)-
TL;DR: Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)- (CAS 112375-52-7) is a chemical compound with molecular formula C22H26O6S and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-methyl 1-O-phenyl (2S)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]pentanedioate
Also Known As: Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)-, 5-Methyl 1-phenyl 2-[1-(benzenesulfonyl)-2-methylpropyl]pentanedioate, Pentanedioic acid,2-[2-methyl-1-(phenylsulfonyl)propyl]-, 5-methyl 1-phenyl ester, (R*,S*)- (9CI), 5-Methyl 1-phenyl (2S)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]pentanedioate, 5-O-methyl 1-O-phenyl (2S)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]pentanedioate
| Molecular Formula | C22H26O6S |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 418.14502 |
| Heavy Atoms | 29 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 112375-52-7 |
|---|---|
| SMILES | CC(C)[C@H]([C@@H](CCC(=O)OC)C(=O)OC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | WNVCLHCBDCIDML-TZIWHRDSSA-N |
Product Overview
Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)- (CAS 112375-52-7), with molecular formula C22H26O6S and molecular weight 418.15 g/mol. IUPAC: 5-O-methyl 1-O-phenyl (2S)-2-[(1R)-1-(benzenesulfonyl)-2-methylpropyl]pentanedioate.
Chemical Property Profile of Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)-
Property Insights of Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)-
The XLogP value of 4.2 indicates that Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)-. Following Lipinski's Rule of Five, Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)-?
The CAS number of Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)- is 112375-52-7.
What is the molecular formula of Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)-?
The molecular formula of Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)- is C22H26O6S.
What is the molecular weight of Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)-?
The molecular weight of Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)- is 418.15 g/mol.
Where can I buy Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)-?
You can request a quote for Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)-?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 2-(2-methyl-1-(phenylsulfonyl)propyl)-, 5-methyl 1-phenyl ester, (R*,S*)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.