Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester
TL;DR: Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester (CAS 67969-81-7) is a chemical compound with molecular formula C10H19ClO3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropoxy)propan-2-yl 2-chloropropanoate
Also Known As: 1-methyl-2- ethyl2-chloropropionate, 1-(2-methylpropoxy)propan-2-yl 2-chloropropanoate, Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester, 1-Methyl-2-(2-methylpropoxy)ethyl 2-chloropropionate, 2-Chloropropanoic acid 1-methyl-2-(2-methylpropoxy)ethyl ester
| Molecular Formula | C10H19ClO3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.10228 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 67969-81-7 |
|---|---|
| SMILES | CC(C)COCC(C)OC(=O)C(C)Cl |
| InChIKey | KBLCCQZNLNBPCW-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester (CAS 67969-81-7), with molecular formula C10H19ClO3 and molecular weight 222.10 g/mol. IUPAC: 1-(2-methylpropoxy)propan-2-yl 2-chloropropanoate.
Chemical Property Profile of Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester
Property Insights of Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester has 0 hydrogen bond donor(s) and 3 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-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester?
The CAS number of Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester is 67969-81-7.
What is the molecular formula of Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester?
The molecular formula of Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester is C10H19ClO3.
What is the molecular weight of Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester?
The molecular weight of Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester is 222.10 g/mol.
Where can I buy Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester?
You can request a quote for Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl 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-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.