But-2-ynylene bis(chloroacetate)
TL;DR: But-2-ynylene bis(chloroacetate) (CAS 14569-76-7) is a chemical compound with molecular formula C8H8Cl2O4 and molecular weight 237.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroacetyl)oxybut-2-ynyl 2-chloroacetate
Also Known As: But-2-ynylene bis(chloroacetate), but-2-yne-1,4-diyl bis(chloroacetate), 1,4-BIS(CHLOROACETOXY)-2-BUTYNE, 4-(2-chloroacetyl)oxybut-2-ynyl 2-chloroacetate, but-2-yne-1,4-diyl bis(2-chloroacetate)
| Molecular Formula | C8H8Cl2O4 |
|---|---|
| Molecular Weight | 237.98 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.97997 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 14569-76-7 |
|---|---|
| SMILES | C(C#CCOC(=O)CCl)OC(=O)CCl |
| InChIKey | GJBMLYJEBNBVPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
But-2-ynylene bis(chloroacetate) (CAS 14569-76-7), with molecular formula C8H8Cl2O4 and molecular weight 237.98 g/mol. IUPAC: 4-(2-chloroacetyl)oxybut-2-ynyl 2-chloroacetate.
Chemical Property Profile of But-2-ynylene bis(chloroacetate)
Property Insights of But-2-ynylene bis(chloroacetate)
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-ynylene bis(chloroacetate). With a topological polar surface area (TPSA) of 52.6 Ų, But-2-ynylene bis(chloroacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-2-ynylene bis(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 But-2-ynylene bis(chloroacetate)?
The CAS number of But-2-ynylene bis(chloroacetate) is 14569-76-7.
What is the molecular formula of But-2-ynylene bis(chloroacetate)?
The molecular formula of But-2-ynylene bis(chloroacetate) is C8H8Cl2O4.
What is the molecular weight of But-2-ynylene bis(chloroacetate)?
The molecular weight of But-2-ynylene bis(chloroacetate) is 237.98 g/mol.
Where can I buy But-2-ynylene bis(chloroacetate)?
You can request a quote for But-2-ynylene bis(chloroacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-ynylene bis(chloroacetate)?
Yes, KEHONG BIO provides custom synthesis services for But-2-ynylene bis(chloroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.