Acetylcholine mustard
TL;DR: Acetylcholine mustard (CAS 36375-30-1) is a chemical compound with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloroethyl(methyl)amino]ethyl acetate
Also Known As: Acetylcholine mustard, 6',7'-Epoxyrotenon, 2-[2-chloroethyl(methyl)amino]ethyl acetate, 2-Chloroethylmethylaminoethyl acetate, TL 1428
| Molecular Formula | C7H14ClNO2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 179.0713 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 36375-30-1 |
|---|---|
| SMILES | CC(=O)OCCN(C)CCCl |
| InChIKey | XZICNJLDEMDMQZ-UHFFFAOYSA-N |
Product Overview
Acetylcholine mustard (CAS 36375-30-1), with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol. IUPAC: 2-[2-chloroethyl(methyl)amino]ethyl acetate.
Chemical Property Profile of Acetylcholine mustard
Property Insights of Acetylcholine mustard
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylcholine mustard. With a topological polar surface area (TPSA) of 29.5 Ų, Acetylcholine mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylcholine 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 Acetylcholine mustard?
The CAS number of Acetylcholine mustard is 36375-30-1.
What is the molecular formula of Acetylcholine mustard?
The molecular formula of Acetylcholine mustard is C7H14ClNO2.
What is the molecular weight of Acetylcholine mustard?
The molecular weight of Acetylcholine mustard is 179.07 g/mol.
Where can I buy Acetylcholine mustard?
You can request a quote for Acetylcholine mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylcholine mustard?
Yes, KEHONG BIO provides custom synthesis services for Acetylcholine mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.