Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-
TL;DR: Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)- (CAS 182247-45-6) is a chemical compound with molecular formula C12H13O4- and molecular weight 221.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-benzyl-4-methoxy-4-oxobutanoate
Also Known As: 3-Benzyl-4-methoxy-4-oxobutanoate, (3S)-3-benzyl-4-methoxy-4-oxobutanoate, (S)-(-)-3-Methoxycarbonyl-4-phenylbutyric acid, Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-, (S)-(-)-2-BENZYLSUCCINIC ACID 1-METHYL ESTER
| Molecular Formula | C12H13O4- |
|---|---|
| Molecular Weight | 221.08 g/mol |
| LogP | 0.1583 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.08139 |
| Heavy Atoms | 16 |
| Complexity | 358.54132 |
Chemical Identifiers
| CAS Number | 182247-45-6 |
|---|---|
| SMILES | COC(=O)[C@@H](CC1=CC=CC=C1)CC(=O)[O-] |
Product Overview
Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)- (CAS 182247-45-6), with molecular formula C12H13O4- and molecular weight 221.08 g/mol. IUPAC: (3S)-3-benzyl-4-methoxy-4-oxobutanoate.
Chemical Property Profile of Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-
Property Insights of Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-
The XLogP value of 0.1583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-. Following Lipinski's Rule of Five, Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)- has 0 hydrogen bond donor(s) and 4 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 Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-?
The CAS number of Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)- is 182247-45-6.
What is the molecular formula of Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-?
The molecular formula of Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)- is C12H13O4-.
What is the molecular weight of Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-?
The molecular weight of Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)- is 221.08 g/mol.
Where can I buy Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-?
You can request a quote for Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)-?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-(phenylmethyl)-, 1-methyl ester, (2S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.