1,2-Diacetoxy-3-chloropropane
TL;DR: 1,2-Diacetoxy-3-chloropropane (CAS 869-50-1) is a chemical compound with molecular formula C7H11ClO4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-3-chloropropyl) acetate
Also Known As: 1,2-Diacetoxy-3-chloropropane, 3-Chloro-1,2-diacetoxypropane, 3-chloropropane-1,2-diyl diacetate, alpha-Chlorohydrin diacetate, 1-Chloro-2,3-diacetoxypropane
| Molecular Formula | C7H11ClO4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.03459 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 869-50-1 |
|---|---|
| SMILES | CC(=O)OCC(CCl)OC(=O)C |
| InChIKey | GTFUGSXMTMYKRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Diacetoxy-3-chloropropane (CAS 869-50-1), with molecular formula C7H11ClO4 and molecular weight 194.03 g/mol. IUPAC: (2-acetyloxy-3-chloropropyl) acetate.
Chemical Property Profile of 1,2-Diacetoxy-3-chloropropane
Property Insights of 1,2-Diacetoxy-3-chloropropane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Diacetoxy-3-chloropropane. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Diacetoxy-3-chloropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Diacetoxy-3-chloropropane has 0 hydrogen bond donor(s) and 4 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 1,2-Diacetoxy-3-chloropropane?
The CAS number of 1,2-Diacetoxy-3-chloropropane is 869-50-1.
What is the molecular formula of 1,2-Diacetoxy-3-chloropropane?
The molecular formula of 1,2-Diacetoxy-3-chloropropane is C7H11ClO4.
What is the molecular weight of 1,2-Diacetoxy-3-chloropropane?
The molecular weight of 1,2-Diacetoxy-3-chloropropane is 194.03 g/mol.
Where can I buy 1,2-Diacetoxy-3-chloropropane?
You can request a quote for 1,2-Diacetoxy-3-chloropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Diacetoxy-3-chloropropane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diacetoxy-3-chloropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.