(s)-2-(2'-Methylbenzyl)succinic acid
TL;DR: (s)-2-(2'-Methylbenzyl)succinic acid (CAS 957752-18-0) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2-methylphenyl)methyl]butanedioic acid
Also Known As: (s)-2-(2-methylbenzyl)succinic acid, (s)-2-(2'-methylbenzyl)succinic acid, (2S)-2-[(2-methylphenyl)methyl]butanedioic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.71302 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 397.76016 |
Chemical Identifiers
| CAS Number | 957752-18-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C[C@@H](CC(=O)O)C(=O)O |
Product Overview
(s)-2-(2'-Methylbenzyl)succinic acid (CAS 957752-18-0), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: (2S)-2-[(2-methylphenyl)methyl]butanedioic acid.
Chemical Property Profile of (s)-2-(2'-Methylbenzyl)succinic acid
Property Insights of (s)-2-(2'-Methylbenzyl)succinic acid
The XLogP value of 1.71302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (s)-2-(2'-Methylbenzyl)succinic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (s)-2-(2'-Methylbenzyl)succinic acid. Following Lipinski's Rule of Five, (s)-2-(2'-Methylbenzyl)succinic acid has 2 hydrogen bond donor(s) and 2 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 (s)-2-(2'-Methylbenzyl)succinic acid?
The CAS number of (s)-2-(2'-Methylbenzyl)succinic acid is 957752-18-0.
What is the molecular formula of (s)-2-(2'-Methylbenzyl)succinic acid?
The molecular formula of (s)-2-(2'-Methylbenzyl)succinic acid is C12H14O4.
What is the molecular weight of (s)-2-(2'-Methylbenzyl)succinic acid?
The molecular weight of (s)-2-(2'-Methylbenzyl)succinic acid is 222.09 g/mol.
Where can I buy (s)-2-(2'-Methylbenzyl)succinic acid?
You can request a quote for (s)-2-(2'-Methylbenzyl)succinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (s)-2-(2'-Methylbenzyl)succinic acid?
Yes, KEHONG BIO provides custom synthesis services for (s)-2-(2'-Methylbenzyl)succinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.