3-Chloropropyl isohexanoate
TL;DR: 3-Chloropropyl isohexanoate (CAS 88606-57-9) is a chemical compound with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropropyl 4-methylpentanoate
Also Known As: 3-Chloropropyl isohexanoate, 3-chloropropyl 4-methylpentanoate, 1-Propanol, 3-chloro, 4-methylpentanoate, Pentanoic acid, 4-methyl-, 3-chloropropyl ester, RefChem:278637
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 192.0917 |
| Heavy Atoms | 12 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 88606-57-9 |
|---|---|
| SMILES | CC(C)CCC(=O)OCCCCl |
| InChIKey | ZUBSCVXXACFAIJ-UHFFFAOYSA-N |
Product Overview
3-Chloropropyl isohexanoate (CAS 88606-57-9), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: 3-chloropropyl 4-methylpentanoate.
Chemical Property Profile of 3-Chloropropyl isohexanoate
Property Insights of 3-Chloropropyl isohexanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloropropyl isohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Chloropropyl isohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropropyl isohexanoate 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 isohexanoate?
The CAS number of 3-Chloropropyl isohexanoate is 88606-57-9.
What is the molecular formula of 3-Chloropropyl isohexanoate?
The molecular formula of 3-Chloropropyl isohexanoate is C9H17ClO2.
What is the molecular weight of 3-Chloropropyl isohexanoate?
The molecular weight of 3-Chloropropyl isohexanoate is 192.09 g/mol.
Where can I buy 3-Chloropropyl isohexanoate?
You can request a quote for 3-Chloropropyl isohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropropyl isohexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropropyl isohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.