Propanoic acid, 2,2-dichloro-, butyl ester
TL;DR: Propanoic acid, 2,2-dichloro-, butyl ester (CAS 17640-07-2) is a chemical compound with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,2-dichloropropanoate
Also Known As: Butyl 2,2-dichloropropanoate, Propanoic acid, 2,2-dichloro-, butyl ester, Butyl 2,2-dichloropropanoate #, 2,2-Dichloropropionic acid butyl ester, Butyl alpha,alpha-dichloropropionate
| Molecular Formula | C7H12Cl2O2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.02144 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 17640-07-2 |
|---|---|
| SMILES | CCCCOC(=O)C(C)(Cl)Cl |
| InChIKey | INWCHAUMYGSQAZ-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2,2-dichloro-, butyl ester (CAS 17640-07-2), with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol. IUPAC: butyl 2,2-dichloropropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dichloro-, butyl ester
Property Insights of Propanoic acid, 2,2-dichloro-, butyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2,2-dichloro-, butyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2,2-dichloro-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dichloro-, butyl 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 Propanoic acid, 2,2-dichloro-, butyl ester?
The CAS number of Propanoic acid, 2,2-dichloro-, butyl ester is 17640-07-2.
What is the molecular formula of Propanoic acid, 2,2-dichloro-, butyl ester?
The molecular formula of Propanoic acid, 2,2-dichloro-, butyl ester is C7H12Cl2O2.
What is the molecular weight of Propanoic acid, 2,2-dichloro-, butyl ester?
The molecular weight of Propanoic acid, 2,2-dichloro-, butyl ester is 198.02 g/mol.
Where can I buy Propanoic acid, 2,2-dichloro-, butyl ester?
You can request a quote for Propanoic acid, 2,2-dichloro-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2,2-dichloro-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dichloro-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.