Dimethyl 2-chloro-2-prop-2-enylpropanedioate
TL;DR: Dimethyl 2-chloro-2-prop-2-enylpropanedioate (CAS 32150-13-3) is a chemical compound with molecular formula C8H11ClO4 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-chloro-2-prop-2-enylpropanedioate
Also Known As: dimethyl 2-chloro-2-prop-2-enylpropanedioate, Dimethyl chloro(prop-2-en-1-yl)propanedioate
| Molecular Formula | C8H11ClO4 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.03459 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 32150-13-3 |
|---|---|
| SMILES | COC(=O)C(CC=C)(C(=O)OC)Cl |
| InChIKey | HSNUZEGZWKNDGZ-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-chloro-2-prop-2-enylpropanedioate (CAS 32150-13-3), with molecular formula C8H11ClO4 and molecular weight 206.03 g/mol. IUPAC: dimethyl 2-chloro-2-prop-2-enylpropanedioate.
Chemical Property Profile of Dimethyl 2-chloro-2-prop-2-enylpropanedioate
Property Insights of Dimethyl 2-chloro-2-prop-2-enylpropanedioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-chloro-2-prop-2-enylpropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-chloro-2-prop-2-enylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-chloro-2-prop-2-enylpropanedioate has 0 hydrogen bond donor(s) and 4 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 Dimethyl 2-chloro-2-prop-2-enylpropanedioate?
The CAS number of Dimethyl 2-chloro-2-prop-2-enylpropanedioate is 32150-13-3.
What is the molecular formula of Dimethyl 2-chloro-2-prop-2-enylpropanedioate?
The molecular formula of Dimethyl 2-chloro-2-prop-2-enylpropanedioate is C8H11ClO4.
What is the molecular weight of Dimethyl 2-chloro-2-prop-2-enylpropanedioate?
The molecular weight of Dimethyl 2-chloro-2-prop-2-enylpropanedioate is 206.03 g/mol.
Where can I buy Dimethyl 2-chloro-2-prop-2-enylpropanedioate?
You can request a quote for Dimethyl 2-chloro-2-prop-2-enylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-chloro-2-prop-2-enylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-chloro-2-prop-2-enylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.