3-(3,4-二氯苯基)丙烯酸
TL;DR: 3-(3,4-二氯苯基)丙烯酸 (CAS 1202-39-7) is a chemical compound with molecular formula C9H6Cl2O2 and molecular weight 215.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-二氯苯基)丙烯酸
3-(3,4-dichlorophenyl)prop-2-enoic acid
Also Known As: 3,4-DICHLOROCINNAMIC ACID, 3,4-DichlorocinnamicAcid, 3,4-dichloro cinnamic acid, 3,4-dichloro-cinnamic acid, 3',4'-Dichlorocinnamic acid
| Molecular Formula | C9H6Cl2O2 |
|---|---|
| Molecular Weight | 215.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.97449 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 1202-39-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl |
| InChIKey | RRLUFPHCTSFKNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,4-二氯苯基)丙烯酸 (CAS 1202-39-7), with molecular formula C9H6Cl2O2 and molecular weight 215.97 g/mol. IUPAC: 3-(3,4-dichlorophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(3,4-二氯苯基)丙烯酸
Property Insights of 3-(3,4-二氯苯基)丙烯酸
The XLogP value of 3.1 indicates that 3-(3,4-二氯苯基)丙烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(3,4-二氯苯基)丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-二氯苯基)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-(3,4-二氯苯基)丙烯酸?
The CAS number of 3-(3,4-二氯苯基)丙烯酸 is 1202-39-7.
What is the molecular formula of 3-(3,4-二氯苯基)丙烯酸?
The molecular formula of 3-(3,4-二氯苯基)丙烯酸 is C9H6Cl2O2.
What is the molecular weight of 3-(3,4-二氯苯基)丙烯酸?
The molecular weight of 3-(3,4-二氯苯基)丙烯酸 is 215.97 g/mol.
Where can I buy 3-(3,4-二氯苯基)丙烯酸?
You can request a quote for 3-(3,4-二氯苯基)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-(3,4-二氯苯基)丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-二氯苯基)丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.