1-Propanol, 2-chloro, acetate
TL;DR: 1-Propanol, 2-chloro, acetate (CAS 627-68-9) 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.
2-chloropropyl acetate
Also Known As: 2-chloropropyl acetate, 2-chloropropylacetate, 1-Propanol, 2-chloro, acetate, Acetic acid 2-chloropropyl ester, acetic acid-(2-chloro-propyl ester)
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 1.1 |
| 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 | 627-68-9 |
|---|---|
| SMILES | CC(COC(=O)C)Cl |
| InChIKey | DXCQFTYOBQILML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propanol, 2-chloro, acetate (CAS 627-68-9), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: 2-chloropropyl acetate.
Chemical Property Profile of 1-Propanol, 2-chloro, acetate
Property Insights of 1-Propanol, 2-chloro, acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanol, 2-chloro, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Propanol, 2-chloro, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanol, 2-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, 2-chloro, acetate?
The CAS number of 1-Propanol, 2-chloro, acetate is 627-68-9.
What is the molecular formula of 1-Propanol, 2-chloro, acetate?
The molecular formula of 1-Propanol, 2-chloro, acetate is C5H9ClO2.
What is the molecular weight of 1-Propanol, 2-chloro, acetate?
The molecular weight of 1-Propanol, 2-chloro, acetate is 136.03 g/mol.
Where can I buy 1-Propanol, 2-chloro, acetate?
You can request a quote for 1-Propanol, 2-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, 2-chloro, acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 2-chloro, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.