![2-[Hydroxy(phenyl)methyl]butanedioic acid structure](/static/products/1694/16947-49-2.webp)
2-[Hydroxy(phenyl)methyl]butanedioic acid
TL;DR: 2-[Hydroxy(phenyl)methyl]butanedioic acid (CAS 16947-49-2) 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.
2-[hydroxy(phenyl)methyl]butanedioic acid
Also Known As: ChemDiv2_001305, CBKinase1_002310, CBKinase1_014710, 2-benzyl-2-hydroxybutanedioic acid, 2-[hydroxy(phenyl)methyl]butanedioic acid
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 0.8955 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 373.22113 |
Chemical Identifiers
| CAS Number | 16947-49-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(CC(=O)O)C(=O)O)O |
Product Overview
2-[Hydroxy(phenyl)methyl]butanedioic acid (CAS 16947-49-2), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 2-[hydroxy(phenyl)methyl]butanedioic acid.
Chemical Property Profile of 2-[Hydroxy(phenyl)methyl]butanedioic acid
Property Insights of 2-[Hydroxy(phenyl)methyl]butanedioic acid
The XLogP value of 0.8955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Hydroxy(phenyl)methyl]butanedioic acid. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Hydroxy(phenyl)methyl]butanedioic acid. Following Lipinski's Rule of Five, 2-[Hydroxy(phenyl)methyl]butanedioic acid has 3 hydrogen bond donor(s) and 3 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 2-[Hydroxy(phenyl)methyl]butanedioic acid?
The CAS number of 2-[Hydroxy(phenyl)methyl]butanedioic acid is 16947-49-2.
What is the molecular formula of 2-[Hydroxy(phenyl)methyl]butanedioic acid?
The molecular formula of 2-[Hydroxy(phenyl)methyl]butanedioic acid is C11H12O5.
What is the molecular weight of 2-[Hydroxy(phenyl)methyl]butanedioic acid?
The molecular weight of 2-[Hydroxy(phenyl)methyl]butanedioic acid is 224.07 g/mol.
Where can I buy 2-[Hydroxy(phenyl)methyl]butanedioic acid?
You can request a quote for 2-[Hydroxy(phenyl)methyl]butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Hydroxy(phenyl)methyl]butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[Hydroxy(phenyl)methyl]butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.