3-氯-2-甲基丙-2-烯酸
TL;DR: 3-氯-2-甲基丙-2-烯酸 (CAS 6625-00-9) 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.
3-氯-2-甲基丙-2-烯酸
3-chloro-2-methylprop-2-enoic acid
Also Known As: 3-chloro-2-methylprop-2-enoic acid, 3-chloro-2-methyl-acrylic acid, propenoic acid, 3-chloro-2-methyl-, trans-3-chloro-2-methyl-acrylic acid, 2-Propenoic acid, 3-chloro-2-methyl-, (E)-
| Molecular Formula | C4H5ClO2 |
|---|---|
| Molecular Weight | 120.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 6625-00-9 |
|---|---|
| SMILES | CC(=CCl)C(=O)O |
| InChIKey | WSUIRDORMCYOBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯-2-甲基丙-2-烯酸 (CAS 6625-00-9), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: 3-chloro-2-methylprop-2-enoic acid.
Chemical Property Profile of 3-氯-2-甲基丙-2-烯酸
Property Insights of 3-氯-2-甲基丙-2-烯酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-2-甲基丙-2-烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-氯-2-甲基丙-2-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-2-甲基丙-2-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-2-甲基丙-2-烯酸?
The CAS number of 3-氯-2-甲基丙-2-烯酸 is 6625-00-9.
What is the molecular formula of 3-氯-2-甲基丙-2-烯酸?
The molecular formula of 3-氯-2-甲基丙-2-烯酸 is C4H5ClO2.
What is the molecular weight of 3-氯-2-甲基丙-2-烯酸?
The molecular weight of 3-氯-2-甲基丙-2-烯酸 is 120.00 g/mol.
Where can I buy 3-氯-2-甲基丙-2-烯酸?
You can request a quote for 3-氯-2-甲基丙-2-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-2-甲基丙-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-2-甲基丙-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.