α,β-二氯丙烯酸
TL;DR: α,β-二氯丙烯酸 (CAS 3533-68-4) is a chemical compound with molecular formula C3H2Cl2O2 and molecular weight 139.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α,β-二氯丙烯酸
2,3-dichloroprop-2-enoic acid
Also Known As: 2,3-dichloroprop-2-enoic acid, alpha,beta-Dichloroacrylic acid, 2,3-Dichloropropenoic acid, 2,3-dichloro propenoic acid, Acrylic acid, 2,3-dichloro-
| Molecular Formula | C3H2Cl2O2 |
|---|---|
| Molecular Weight | 139.94 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.94319 |
| Heavy Atoms | 7 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 3533-68-4 |
|---|---|
| SMILES | C(=C(C(=O)O)Cl)Cl |
| InChIKey | YQYHCJZVJNOGBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α,β-二氯丙烯酸 (CAS 3533-68-4), with molecular formula C3H2Cl2O2 and molecular weight 139.94 g/mol. IUPAC: 2,3-dichloroprop-2-enoic acid.
Chemical Property Profile of α,β-二氯丙烯酸
Property Insights of α,β-二氯丙烯酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α,β-二氯丙烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, α,β-二氯丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α,β-二氯丙烯酸 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 α,β-二氯丙烯酸?
The CAS number of α,β-二氯丙烯酸 is 3533-68-4.
What is the molecular formula of α,β-二氯丙烯酸?
The molecular formula of α,β-二氯丙烯酸 is C3H2Cl2O2.
What is the molecular weight of α,β-二氯丙烯酸?
The molecular weight of α,β-二氯丙烯酸 is 139.94 g/mol.
Where can I buy α,β-二氯丙烯酸?
You can request a quote for α,β-二氯丙烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α,β-二氯丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for α,β-二氯丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.