3-(4-氯苯基)丙烯酸
TL;DR: 3-(4-氯苯基)丙烯酸 (CAS 1615-02-7) is a chemical compound with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-氯苯基)丙烯酸
3-(4-chlorophenyl)prop-2-enoic acid
Also Known As: 4-CHLOROCINNAMIC ACID, 3-(4-chlorophenyl)acrylic acid, p-Chlorocinnamic acid, 4-ChlorocinnamicAcid, p-chloro-cinnamic acid
| Molecular Formula | C9H7ClO2 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.01346 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 1615-02-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)O)Cl |
| InChIKey | GXLIFJYFGMHYDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-氯苯基)丙烯酸 (CAS 1615-02-7), with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol. IUPAC: 3-(4-chlorophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-氯苯基)丙烯酸
Property Insights of 3-(4-氯苯基)丙烯酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-氯苯基)丙烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-氯苯基)丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-氯苯基)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-(4-氯苯基)丙烯酸?
The CAS number of 3-(4-氯苯基)丙烯酸 is 1615-02-7.
What is the molecular formula of 3-(4-氯苯基)丙烯酸?
The molecular formula of 3-(4-氯苯基)丙烯酸 is C9H7ClO2.
What is the molecular weight of 3-(4-氯苯基)丙烯酸?
The molecular weight of 3-(4-氯苯基)丙烯酸 is 182.01 g/mol.
Where can I buy 3-(4-氯苯基)丙烯酸?
You can request a quote for 3-(4-氯苯基)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-(4-氯苯基)丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-氯苯基)丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.