2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester
TL;DR: 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester (CAS 72088-85-8) is a chemical compound with molecular formula C7H11ClO2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-chloroprop-2-enoate
Also Known As: tert-Butyl 2-chloroacrylate, tert-Butyl alpha-chloroacrylate, tert-butyl 2-chloroprop-2-enoate, t-butyl alpha-chloroacrylate, 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester
| Molecular Formula | C7H11ClO2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 2.0806 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.04475 |
| Heavy Atoms | 10 |
| Complexity | 155.47926 |
Chemical Identifiers
| CAS Number | 72088-85-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(=C)Cl |
Product Overview
2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester (CAS 72088-85-8), with molecular formula C7H11ClO2 and molecular weight 162.04 g/mol. IUPAC: tert-butyl 2-chloroprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester
Property Insights of 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester
The XLogP value of 2.0806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester has 0 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 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester?
The CAS number of 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester is 72088-85-8.
What is the molecular formula of 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester?
The molecular formula of 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester is C7H11ClO2.
What is the molecular weight of 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester?
The molecular weight of 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester is 162.04 g/mol.
Where can I buy 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester?
You can request a quote for 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-chloro-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.