阿托酸
TL;DR: 阿托酸 (CAS 492-38-6) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿托酸
2-phenylprop-2-enoic acid
Also Known As: 2-Phenylacrylic acid, Atropic acid, 2-phenylprop-2-enoic acid, atropasaure, Atropicacid
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.05243 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 492-38-6 |
|---|---|
| SMILES | C=C(C1=CC=CC=C1)C(=O)O |
| InChIKey | ONPJWQSDZCGSQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿托酸 (CAS 492-38-6), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 2-phenylprop-2-enoic acid.
Chemical Property Profile of 阿托酸
Property Insights of 阿托酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿托酸. With a topological polar surface area (TPSA) of 37.3 Ų, 阿托酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿托酸 has 1 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 阿托酸?
The CAS number of 阿托酸 is 492-38-6.
What is the molecular formula of 阿托酸?
The molecular formula of 阿托酸 is C9H8O2.
What is the molecular weight of 阿托酸?
The molecular weight of 阿托酸 is 148.05 g/mol.
Where can I buy 阿托酸?
You can request a quote for 阿托酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿托酸?
Yes, KEHONG BIO provides custom synthesis services for 阿托酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.