3-苯基-2-丙烯酸
TL;DR: 3-苯基-2-丙烯酸 (CAS 621-82-9) 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.
3-苯基-2-丙烯酸
3-phenylprop-2-enoic acid
Also Known As: CINNAMIC ACID, TRANS-CINNAMIC ACID, heparin, Zimtsaeure, Cinnamylic acid
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 2.1 |
| 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 | 155.0 |
Chemical Identifiers
| CAS Number | 621-82-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)O |
| InChIKey | WBYWAXJHAXSJNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基-2-丙烯酸 (CAS 621-82-9), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 3-phenylprop-2-enoic acid.
Chemical Property Profile of 3-苯基-2-丙烯酸
Property Insights of 3-苯基-2-丙烯酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基-2-丙烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-苯基-2-丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基-2-丙烯酸 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 3-苯基-2-丙烯酸?
The CAS number of 3-苯基-2-丙烯酸 is 621-82-9.
What is the molecular formula of 3-苯基-2-丙烯酸?
The molecular formula of 3-苯基-2-丙烯酸 is C9H8O2.
What is the molecular weight of 3-苯基-2-丙烯酸?
The molecular weight of 3-苯基-2-丙烯酸 is 148.05 g/mol.
Where can I buy 3-苯基-2-丙烯酸?
You can request a quote for 3-苯基-2-丙烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基-2-丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基-2-丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.