Chlormethacrylsaure
TL;DR: Chlormethacrylsaure (CAS 3533-59-3) 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.
(E)-3-chloro-2-methylprop-2-enoic acid
Also Known As: Chlormethacrylsaure, beta-chloromethacrylic acid, 3-Chlor-2-methyl-acrylsaeure, 3-chloro-2-methyl-acrylic acid, 3-chloro-2-methylprop-2-enoic acid
| Molecular Formula | C4H5ClO2 |
|---|---|
| Molecular Weight | 120.00 g/mol |
| LogP | 1.2136 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 106.25742 |
Chemical Identifiers
| CAS Number | 3533-59-3 |
|---|---|
| SMILES | C/C(=C\Cl)/C(=O)O |
Product Overview
Chlormethacrylsaure (CAS 3533-59-3), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: (E)-3-chloro-2-methylprop-2-enoic acid.
Chemical Property Profile of Chlormethacrylsaure
Property Insights of Chlormethacrylsaure
The XLogP value of 1.2136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlormethacrylsaure. With a topological polar surface area (TPSA) of 37.3 Ų, Chlormethacrylsaure exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlormethacrylsaure has 1 hydrogen bond donor(s) and 1 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 Chlormethacrylsaure?
The CAS number of Chlormethacrylsaure is 3533-59-3.
What is the molecular formula of Chlormethacrylsaure?
The molecular formula of Chlormethacrylsaure is C4H5ClO2.
What is the molecular weight of Chlormethacrylsaure?
The molecular weight of Chlormethacrylsaure is 120.00 g/mol.
Where can I buy Chlormethacrylsaure?
You can request a quote for Chlormethacrylsaure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlormethacrylsaure?
Yes, KEHONG BIO provides custom synthesis services for Chlormethacrylsaure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.