1-Propanol, 3-chloro-, acetate
TL;DR: 1-Propanol, 3-chloro-, acetate (CAS 628-09-1) 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.
3-chloropropyl acetate
Also Known As: 3-Chloropropyl acetate, 3-Chloropropanol acetate, 3-Chlorprop-1-ylacetat, Dimethyl hexanedioate, gamma-Chloropropyl acetate
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 628-09-1 |
|---|---|
| SMILES | CC(=O)OCCCCl |
| InChIKey | KPOHQIPNNIMWRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propanol, 3-chloro-, acetate (CAS 628-09-1), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: 3-chloropropyl acetate.
Chemical Property Profile of 1-Propanol, 3-chloro-, acetate
Property Insights of 1-Propanol, 3-chloro-, acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanol, 3-chloro-, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Propanol, 3-chloro-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanol, 3-chloro-, 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-Propanol, 3-chloro-, acetate?
The CAS number of 1-Propanol, 3-chloro-, acetate is 628-09-1.
What is the molecular formula of 1-Propanol, 3-chloro-, acetate?
The molecular formula of 1-Propanol, 3-chloro-, acetate is C5H9ClO2.
What is the molecular weight of 1-Propanol, 3-chloro-, acetate?
The molecular weight of 1-Propanol, 3-chloro-, acetate is 136.03 g/mol.
Where can I buy 1-Propanol, 3-chloro-, acetate?
You can request a quote for 1-Propanol, 3-chloro-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanol, 3-chloro-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 3-chloro-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.