Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester
TL;DR: Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester (CAS 7250-48-8) is a chemical compound with molecular formula C7H10Cl2O5 and molecular weight 243.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chloroacetyl)oxy-2-hydroxypropyl] 2-chloroacetate
Also Known As: 2-hydroxypropane-1,3-diyl bis(chloroacetate), Acetic acid, chloro-, 2-hydroxy-1,3-propanediyl ester, 2-hydroxypropane-1,3-diyl bis(2-chloroacetate), Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester, Bis(chloroacetic acid)2-hydroxy-1,3-propanediyl ester
| Molecular Formula | C7H10Cl2O5 |
|---|---|
| Molecular Weight | 243.99 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 243.99052 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 7250-48-8 |
|---|---|
| SMILES | C(C(COC(=O)CCl)O)OC(=O)CCl |
| InChIKey | QJIXLSMNMUIHMQ-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester (CAS 7250-48-8), with molecular formula C7H10Cl2O5 and molecular weight 243.99 g/mol. IUPAC: [3-(2-chloroacetyl)oxy-2-hydroxypropyl] 2-chloroacetate.
Chemical Property Profile of Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester
Property Insights of Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester. Following Lipinski's Rule of Five, Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester has 1 hydrogen bond donor(s) and 5 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 Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester?
The CAS number of Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester is 7250-48-8.
What is the molecular formula of Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester?
The molecular formula of Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester is C7H10Cl2O5.
What is the molecular weight of Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester?
The molecular weight of Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester is 243.99 g/mol.
Where can I buy Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester?
You can request a quote for Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-chloro-, 1,1'-(2-hydroxy-1,3-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.