3-Chloropropyl heptanoate
TL;DR: 3-Chloropropyl heptanoate (CAS 88606-69-3) is a chemical compound with molecular formula C10H19ClO2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropropyl heptanoate
Also Known As: 3-Chloropropyl heptanoate, Heptanoic acid, 3-chloropropyl ester, 1-Propanol, 3-chloro, heptanoate, Heptanoic acid,3-chloropropyl ester, RefChem:278636
| Molecular Formula | C10H19ClO2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 206.10736 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 88606-69-3 |
|---|---|
| SMILES | CCCCCCC(=O)OCCCCl |
| InChIKey | PSGFDTBGMJYBCY-UHFFFAOYSA-N |
Product Overview
3-Chloropropyl heptanoate (CAS 88606-69-3), with molecular formula C10H19ClO2 and molecular weight 206.11 g/mol. IUPAC: 3-chloropropyl heptanoate.
Chemical Property Profile of 3-Chloropropyl heptanoate
Property Insights of 3-Chloropropyl heptanoate
The XLogP value of 3.5 indicates that 3-Chloropropyl heptanoate 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 heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropropyl heptanoate 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 heptanoate?
The CAS number of 3-Chloropropyl heptanoate is 88606-69-3.
What is the molecular formula of 3-Chloropropyl heptanoate?
The molecular formula of 3-Chloropropyl heptanoate is C10H19ClO2.
What is the molecular weight of 3-Chloropropyl heptanoate?
The molecular weight of 3-Chloropropyl heptanoate is 206.11 g/mol.
Where can I buy 3-Chloropropyl heptanoate?
You can request a quote for 3-Chloropropyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropropyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropropyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.