3-氯丙烯酸
TL;DR: 3-氯丙烯酸 (CAS 1609-93-4) is a chemical compound with molecular formula C3H3ClO2 and molecular weight 105.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯丙烯酸
3-chloroprop-2-enoic acid
Also Known As: 3-Chloroacrylic acid, cis-3-Chloroacrylic acid, trans-3-Chloroacrylic acid, Cis-3-chloroacrylicacid, 3-chloroprop-2-enoic acid
| Molecular Formula | C3H3ClO2 |
|---|---|
| Molecular Weight | 105.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.982155 |
| Heavy Atoms | 6 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 1609-93-4 |
|---|---|
| SMILES | C(=CCl)C(=O)O |
| InChIKey | MHMUCYJKZUZMNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯丙烯酸 (CAS 1609-93-4), with molecular formula C3H3ClO2 and molecular weight 105.98 g/mol. IUPAC: 3-chloroprop-2-enoic acid.
Chemical Property Profile of 3-氯丙烯酸
Property Insights of 3-氯丙烯酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯丙烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-氯丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯丙烯酸 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-氯丙烯酸?
The CAS number of 3-氯丙烯酸 is 1609-93-4.
What is the molecular formula of 3-氯丙烯酸?
The molecular formula of 3-氯丙烯酸 is C3H3ClO2.
What is the molecular weight of 3-氯丙烯酸?
The molecular weight of 3-氯丙烯酸 is 105.98 g/mol.
Where can I buy 3-氯丙烯酸?
You can request a quote for 3-氯丙烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.