Propanoic acid, 3-chloro-, isooctyl ester
TL;DR: Propanoic acid, 3-chloro-, isooctyl ester (CAS 57807-80-4) is a chemical compound with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 3-chloropropanoate
Also Known As: 6-methylheptyl 3-chloropropanoate, Propanoic acid, 3-chloro-, isooctyl ester, 2-tert-butyl-1-vinyl-pyrrole, 3-Chloropropanoic acid 6-methylheptyl ester, 11-hydroxy-44,113-dodecaoxidan-4-one
| Molecular Formula | C11H21ClO2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 220.123 |
| Heavy Atoms | 14 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 57807-80-4 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CCCl |
| InChIKey | KKDGZGXVTXSTLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3-chloro-, isooctyl ester (CAS 57807-80-4), with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol. IUPAC: 6-methylheptyl 3-chloropropanoate.
Chemical Property Profile of Propanoic acid, 3-chloro-, isooctyl ester
Property Insights of Propanoic acid, 3-chloro-, isooctyl ester
The XLogP value of 3.8 indicates that Propanoic acid, 3-chloro-, isooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 3-chloro-, isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-chloro-, isooctyl 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, 3-chloro-, isooctyl ester?
The CAS number of Propanoic acid, 3-chloro-, isooctyl ester is 57807-80-4.
What is the molecular formula of Propanoic acid, 3-chloro-, isooctyl ester?
The molecular formula of Propanoic acid, 3-chloro-, isooctyl ester is C11H21ClO2.
What is the molecular weight of Propanoic acid, 3-chloro-, isooctyl ester?
The molecular weight of Propanoic acid, 3-chloro-, isooctyl ester is 220.12 g/mol.
Where can I buy Propanoic acid, 3-chloro-, isooctyl ester?
You can request a quote for Propanoic acid, 3-chloro-, isooctyl 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, 3-chloro-, isooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-chloro-, isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.