Acetylethylcholine mustard
TL;DR: Acetylethylcholine mustard (CAS 98812-27-2) is a chemical compound with molecular formula C8H16ClNO2 and molecular weight 193.09 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
Also Known As: Acetylethylcholine mustard, Aech-M, 2-[2-chloroethyl(ethyl)amino]ethyl acetate, 2-[(2-chloroethyl)(ethyl)amino]ethyl acetate, 2-(Ethyl-2-chloroethylamino)ethanol acetate
| Molecular Formula | C8H16ClNO2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 193.08696 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 98812-27-2 |
|---|---|
| SMILES | CCN(CCOC(=O)C)CCCl |
| InChIKey | UNAXSEJHNLEOKE-UHFFFAOYSA-N |
Product Overview
Acetylethylcholine mustard (CAS 98812-27-2), with molecular formula C8H16ClNO2 and molecular weight 193.09 g/mol. IUPAC: 2-[2-chloroethyl(ethyl)amino]ethyl acetate.
Chemical Property Profile of Acetylethylcholine mustard
Property Insights of Acetylethylcholine mustard
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylethylcholine mustard. With a topological polar surface area (TPSA) of 29.5 Ų, Acetylethylcholine mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylethylcholine mustard has 0 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 Acetylethylcholine mustard?
The CAS number of Acetylethylcholine mustard is 98812-27-2.
What is the molecular formula of Acetylethylcholine mustard?
The molecular formula of Acetylethylcholine mustard is C8H16ClNO2.
What is the molecular weight of Acetylethylcholine mustard?
The molecular weight of Acetylethylcholine mustard is 193.09 g/mol.
Where can I buy Acetylethylcholine mustard?
You can request a quote for Acetylethylcholine mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylethylcholine mustard?
Yes, KEHONG BIO provides custom synthesis services for Acetylethylcholine mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.