3-Chloropropyl decanoate
TL;DR: 3-Chloropropyl decanoate (CAS 88606-72-8) is a chemical compound with molecular formula C13H25ClO2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropropyl decanoate
Also Known As: 3-Chloropropyl decanoate, Decanoic acid, 3-chloropropyl ester, 1-Propanol, 3-chloro, decanoate, RefChem:278635
| Molecular Formula | C13H25ClO2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 248.15431 |
| Heavy Atoms | 16 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 88606-72-8 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCCCCl |
| InChIKey | ULIMLFINMWDLMD-UHFFFAOYSA-N |
Product Overview
3-Chloropropyl decanoate (CAS 88606-72-8), with molecular formula C13H25ClO2 and molecular weight 248.15 g/mol. IUPAC: 3-chloropropyl decanoate.
Chemical Property Profile of 3-Chloropropyl decanoate
Property Insights of 3-Chloropropyl decanoate
The XLogP value of 5.1 indicates that 3-Chloropropyl decanoate 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 decanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropropyl decanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloropropyl decanoate?
The CAS number of 3-Chloropropyl decanoate is 88606-72-8.
What is the molecular formula of 3-Chloropropyl decanoate?
The molecular formula of 3-Chloropropyl decanoate is C13H25ClO2.
What is the molecular weight of 3-Chloropropyl decanoate?
The molecular weight of 3-Chloropropyl decanoate is 248.15 g/mol.
Where can I buy 3-Chloropropyl decanoate?
You can request a quote for 3-Chloropropyl decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropropyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropropyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.