Acetyl AF-64
TL;DR: Acetyl AF-64 (CAS 103994-00-9) is a chemical compound with molecular formula C8H17Cl2NO2 and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloroethyl(ethyl)amino]ethyl acetate;hydrochloride
Also Known As: Acetyl AF-64, Acetylethylcholine mustard hydrochloride, 2-((2-chloroethyl)(ethyl)amino)ethyl acetate hydrochloride, acetylethylcholine-mustard-hydrochloride, Acetylethylcholine mustard (hydrochloride)
| Molecular Formula | C8H17Cl2NO2 |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 1.532 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 229.06363 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 103994-00-9 |
|---|---|
| SMILES | CCN(CCOC(=O)C)CCCl.Cl |
| InChIKey | CHWPASAPXMNLKO-UHFFFAOYSA-N |
Product Overview
Acetyl AF-64 (CAS 103994-00-9), with molecular formula C8H17Cl2NO2 and molecular weight 229.06 g/mol. IUPAC: 2-[2-chloroethyl(ethyl)amino]ethyl acetate;hydrochloride.
Chemical Property Profile of Acetyl AF-64
Property Insights of Acetyl AF-64
The XLogP value of 1.532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl AF-64. With a topological polar surface area (TPSA) of 29.5 Ų, Acetyl AF-64 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl AF-64 has 1 hydrogen bond donor(s) and 3 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 Acetyl AF-64?
The CAS number of Acetyl AF-64 is 103994-00-9.
What is the molecular formula of Acetyl AF-64?
The molecular formula of Acetyl AF-64 is C8H17Cl2NO2.
What is the molecular weight of Acetyl AF-64?
The molecular weight of Acetyl AF-64 is 229.06 g/mol.
Where can I buy Acetyl AF-64?
You can request a quote for Acetyl AF-64 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl AF-64?
Yes, KEHONG BIO provides custom synthesis services for Acetyl AF-64 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.