4-氯-2-丁烯酸
TL;DR: 4-氯-2-丁烯酸 (CAS 16197-90-3) is a chemical compound with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-2-丁烯酸
4-chlorobut-2-enoic acid
Also Known As: 4-Chlorobut-2-enoic acid, (E)-4-chlorobut-2-enoic acid, 4-Chloro-2-butenoic acid, 4-chloro-but-2-enoic acid, 4-CHLOROCROTONIC ACID
| Molecular Formula | C4H5ClO2 |
|---|---|
| Molecular Weight | 120.00 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 16197-90-3 |
|---|---|
| SMILES | C(C=CC(=O)O)Cl |
| InChIKey | TVOMCUWVZVBDBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-2-丁烯酸 (CAS 16197-90-3), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: 4-chlorobut-2-enoic acid.
Chemical Property Profile of 4-氯-2-丁烯酸
Property Insights of 4-氯-2-丁烯酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-2-丁烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-氯-2-丁烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-2-丁烯酸 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 4-氯-2-丁烯酸?
The CAS number of 4-氯-2-丁烯酸 is 16197-90-3.
What is the molecular formula of 4-氯-2-丁烯酸?
The molecular formula of 4-氯-2-丁烯酸 is C4H5ClO2.
What is the molecular weight of 4-氯-2-丁烯酸?
The molecular weight of 4-氯-2-丁烯酸 is 120.00 g/mol.
Where can I buy 4-氯-2-丁烯酸?
You can request a quote for 4-氯-2-丁烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-2-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-2-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.