Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-
TL;DR: Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)- (CAS 66178-06-1) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
Also Known As: Benzyl alpha-(S)-malate, (S)-alpha-Benzylmalic acid, (S)-4-(Benzyloxy)-2-hydroxy-4-oxobutanoic acid, 4-(Phenylmethyl) (S)-hydroxybutanedioate, Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 0.5654 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 359.8975 |
Chemical Identifiers
| CAS Number | 66178-06-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)O)O |
Product Overview
Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)- (CAS 66178-06-1), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: (2S)-2-hydroxy-4-oxo-4-phenylmethoxybutanoic acid.
Chemical Property Profile of Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-
Property Insights of Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-
The XLogP value of 0.5654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-. Following Lipinski's Rule of Five, Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)- has 2 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, hydroxy-, 4-(phenylmethyl) ester, (S)-?
The CAS number of Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)- is 66178-06-1.
What is the molecular formula of Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-?
The molecular formula of Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)- is C11H12O5.
What is the molecular weight of Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-?
The molecular weight of Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)- is 224.07 g/mol.
Where can I buy Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-?
You can request a quote for Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.