1-Chloropropyl acetate
TL;DR: 1-Chloropropyl acetate (CAS 13398-03-3) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloropropyl acetate
Also Known As: 1-Chloropropyl acetate, 1-Propanol, 1-chloro, acetate
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 13398-03-3 |
|---|---|
| SMILES | CCC(OC(=O)C)Cl |
| InChIKey | VBEFTAAXOJJJKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloropropyl acetate (CAS 13398-03-3), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: 1-chloropropyl acetate.
Chemical Property Profile of 1-Chloropropyl acetate
Property Insights of 1-Chloropropyl acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloropropyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Chloropropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloropropyl acetate 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 1-Chloropropyl acetate?
The CAS number of 1-Chloropropyl acetate is 13398-03-3.
What is the molecular formula of 1-Chloropropyl acetate?
The molecular formula of 1-Chloropropyl acetate is C5H9ClO2.
What is the molecular weight of 1-Chloropropyl acetate?
The molecular weight of 1-Chloropropyl acetate is 136.03 g/mol.
Where can I buy 1-Chloropropyl acetate?
You can request a quote for 1-Chloropropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloropropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloropropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.