Pentyl 3-chloropropanoate
TL;DR: Pentyl 3-chloropropanoate (CAS 74306-03-9) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 3-chloropropanoate
Also Known As: Pentyl 3-chloropropanoate, Pentyl 3-chloropropanoate #, 3-Chloropropionic acid, pentyl ester, Propanoic acid, 3-chloro, pentyl ester, Propanoic acid, 3-chloro-, pentyl ester
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 74306-03-9 |
|---|---|
| SMILES | CCCCCOC(=O)CCCl |
| InChIKey | VSUKVMJYRSUJJS-UHFFFAOYSA-N |
Product Overview
Pentyl 3-chloropropanoate (CAS 74306-03-9), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: pentyl 3-chloropropanoate.
Chemical Property Profile of Pentyl 3-chloropropanoate
Property Insights of Pentyl 3-chloropropanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 3-chloropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 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 Pentyl 3-chloropropanoate?
The CAS number of Pentyl 3-chloropropanoate is 74306-03-9.
What is the molecular formula of Pentyl 3-chloropropanoate?
The molecular formula of Pentyl 3-chloropropanoate is C8H15ClO2.
What is the molecular weight of Pentyl 3-chloropropanoate?
The molecular weight of Pentyl 3-chloropropanoate is 178.08 g/mol.
Where can I buy Pentyl 3-chloropropanoate?
You can request a quote for Pentyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.