Butyric acid, 2,2-dichloro-, methyl ester
TL;DR: Butyric acid, 2,2-dichloro-, methyl ester (CAS 21447-08-5) is a chemical compound with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dichlorobutanoate
Also Known As: Methyl 2,2-dichlorobutanoate, Butyric acid, 2,2-dichloro-, methyl ester, methyl 2,2-dichlorobutan-oate, Methyl 2,2-dichlorobutanoate #, Butanoic acid, 2,2-dichloro-, methyl ester
| Molecular Formula | C5H8Cl2O2 |
|---|---|
| Molecular Weight | 169.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.99013 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 21447-08-5 |
|---|---|
| SMILES | CCC(C(=O)OC)(Cl)Cl |
| InChIKey | VAPJFYJBCCPOAV-UHFFFAOYSA-N |
Product Overview
Butyric acid, 2,2-dichloro-, methyl ester (CAS 21447-08-5), with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol. IUPAC: methyl 2,2-dichlorobutanoate.
Chemical Property Profile of Butyric acid, 2,2-dichloro-, methyl ester
Property Insights of Butyric acid, 2,2-dichloro-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 2,2-dichloro-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butyric acid, 2,2-dichloro-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 2,2-dichloro-, methyl 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 Butyric acid, 2,2-dichloro-, methyl ester?
The CAS number of Butyric acid, 2,2-dichloro-, methyl ester is 21447-08-5.
What is the molecular formula of Butyric acid, 2,2-dichloro-, methyl ester?
The molecular formula of Butyric acid, 2,2-dichloro-, methyl ester is C5H8Cl2O2.
What is the molecular weight of Butyric acid, 2,2-dichloro-, methyl ester?
The molecular weight of Butyric acid, 2,2-dichloro-, methyl ester is 169.99 g/mol.
Where can I buy Butyric acid, 2,2-dichloro-, methyl ester?
You can request a quote for Butyric acid, 2,2-dichloro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 2,2-dichloro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 2,2-dichloro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.