![[(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate structure](/static/products/6967/696-77-5.webp)
[(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate
TL;DR: [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate (CAS 696-77-5) is a chemical compound with molecular formula C8H12Cl2O4 and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate
Also Known As: KST-1A7646, (2r,3r)-butane-2,3-diyl bis(chloroacetate), [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate, Acetic acid, chloro-,1,2-dimethyl-1,2-ethanediyl ester, (R*,R*)- (9CI)
| Molecular Formula | C8H12Cl2O4 |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.01126 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 696-77-5 |
|---|---|
| SMILES | C[C@H]([C@@H](C)OC(=O)CCl)OC(=O)CCl |
| InChIKey | GQLLNRQZPDXYSF-PHDIDXHHSA-N |
Product Overview
[(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate (CAS 696-77-5), with molecular formula C8H12Cl2O4 and molecular weight 242.01 g/mol. IUPAC: [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate.
Chemical Property Profile of [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate
Property Insights of [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate. With a topological polar surface area (TPSA) of 52.6 Ų, [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate 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 [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate?
The CAS number of [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate is 696-77-5.
What is the molecular formula of [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate?
The molecular formula of [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate is C8H12Cl2O4.
What is the molecular weight of [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate?
The molecular weight of [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate is 242.01 g/mol.
Where can I buy [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate?
You can request a quote for [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for [(2R,3R)-3-(2-chloroacetyl)oxybutan-2-yl] 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.