2-苄基-2-羟基丁二酸
TL;DR: 2-苄基-2-羟基丁二酸 (CAS 90326-97-9) 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-苄基-2-羟基丁二酸
2-benzyl-2-hydroxybutanedioic acid
Also Known As: 2-Benzylmalic acid, alpha-Benzylmalic acid, 2-benzyl-2-hydroxybutanedioic acid, 2-Hydroxy-2-(phenylmethyl)butanedioic acid, Butanedioic acid, 2-hydroxy-2-(phenylmethyl)-
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 90326-97-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC(=O)O)(C(=O)O)O |
| InChIKey | ZNAJIKYTBCGAQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苄基-2-羟基丁二酸 (CAS 90326-97-9), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 2-benzyl-2-hydroxybutanedioic acid.
Chemical Property Profile of 2-苄基-2-羟基丁二酸
Property Insights of 2-苄基-2-羟基丁二酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苄基-2-羟基丁二酸. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-苄基-2-羟基丁二酸. Following Lipinski's Rule of Five, 2-苄基-2-羟基丁二酸 has 3 hydrogen bond donor(s) and 5 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-苄基-2-羟基丁二酸?
The CAS number of 2-苄基-2-羟基丁二酸 is 90326-97-9.
What is the molecular formula of 2-苄基-2-羟基丁二酸?
The molecular formula of 2-苄基-2-羟基丁二酸 is C11H12O5.
What is the molecular weight of 2-苄基-2-羟基丁二酸?
The molecular weight of 2-苄基-2-羟基丁二酸 is 224.07 g/mol.
Where can I buy 2-苄基-2-羟基丁二酸?
You can request a quote for 2-苄基-2-羟基丁二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苄基-2-羟基丁二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-苄基-2-羟基丁二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.