3-Chloropropyl nonanoate
TL;DR: 3-Chloropropyl nonanoate (CAS 88606-71-7) is a chemical compound with molecular formula C12H23ClO2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropropyl nonanoate
Also Known As: 3-Chloropropyl nonanoate, Nonanoic acid, 3-chloropropyl ester, 1-Propanol,3-chloro,nonanoate, 1-Propanol, 3-chloro, nonanoate, RefChem:278639
| Molecular Formula | C12H23ClO2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 234.13866 |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 88606-71-7 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCCCCl |
| InChIKey | ZLKLIVLFBLTYCO-UHFFFAOYSA-N |
Product Overview
3-Chloropropyl nonanoate (CAS 88606-71-7), with molecular formula C12H23ClO2 and molecular weight 234.14 g/mol. IUPAC: 3-chloropropyl nonanoate.
Chemical Property Profile of 3-Chloropropyl nonanoate
Property Insights of 3-Chloropropyl nonanoate
The XLogP value of 4.6 indicates that 3-Chloropropyl nonanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Chloropropyl nonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropropyl nonanoate 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 3-Chloropropyl nonanoate?
The CAS number of 3-Chloropropyl nonanoate is 88606-71-7.
What is the molecular formula of 3-Chloropropyl nonanoate?
The molecular formula of 3-Chloropropyl nonanoate is C12H23ClO2.
What is the molecular weight of 3-Chloropropyl nonanoate?
The molecular weight of 3-Chloropropyl nonanoate is 234.14 g/mol.
Where can I buy 3-Chloropropyl nonanoate?
You can request a quote for 3-Chloropropyl nonanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropropyl nonanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropropyl nonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.