Decyl 3-chloropropanoate
TL;DR: Decyl 3-chloropropanoate (CAS 74306-06-2) 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.
decyl 3-chloropropanoate
Also Known As: Decyl 3-chloropropanoate, Propanoic acid, 3-chloro-, decyl ester, 3-Chloropropionic acid, decyl ester, Decyl 3-chloropropanoate #, Propanoic acid,3-chloro-,decyl ester
| Molecular Formula | C13H25ClO2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 5.0 |
| 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 | 74306-06-2 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CCCl |
| InChIKey | HOFHJGXZUUNNDQ-UHFFFAOYSA-N |
Product Overview
Decyl 3-chloropropanoate (CAS 74306-06-2), with molecular formula C13H25ClO2 and molecular weight 248.15 g/mol. IUPAC: decyl 3-chloropropanoate.
Chemical Property Profile of Decyl 3-chloropropanoate
Property Insights of Decyl 3-chloropropanoate
The XLogP value of 5.0 indicates that Decyl 3-chloropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Decyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 3-chloropropanoate 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 Decyl 3-chloropropanoate?
The CAS number of Decyl 3-chloropropanoate is 74306-06-2.
What is the molecular formula of Decyl 3-chloropropanoate?
The molecular formula of Decyl 3-chloropropanoate is C13H25ClO2.
What is the molecular weight of Decyl 3-chloropropanoate?
The molecular weight of Decyl 3-chloropropanoate is 248.15 g/mol.
Where can I buy Decyl 3-chloropropanoate?
You can request a quote for Decyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Decyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.