Benzilylcholine mustard
TL;DR: Benzilylcholine mustard (CAS 5746-42-9) is a chemical compound with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
Also Known As: Benzilylcholine mustard, 2((2-Chloroethyl)methylamino)ethylbenzylate, N-2-chloroethyl-N-methyl 2-aminoethyl benzilate, 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate, Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-((2-chloroethyl)methylamino)ethyl ester
| Molecular Formula | C19H22ClNO3 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 2.6363 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 347.1288 |
| Heavy Atoms | 24 |
| Complexity | 594.0749 |
Chemical Identifiers
| CAS Number | 5746-42-9 |
|---|---|
| SMILES | CN(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)CCCl |
Product Overview
Benzilylcholine mustard (CAS 5746-42-9), with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol. IUPAC: 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Benzilylcholine mustard
Property Insights of Benzilylcholine mustard
The XLogP value of 2.6363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzilylcholine mustard. With a topological polar surface area (TPSA) of 49.77 Ų, Benzilylcholine mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilylcholine mustard has 1 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 Benzilylcholine mustard?
The CAS number of Benzilylcholine mustard is 5746-42-9.
What is the molecular formula of Benzilylcholine mustard?
The molecular formula of Benzilylcholine mustard is C19H22ClNO3.
What is the molecular weight of Benzilylcholine mustard?
The molecular weight of Benzilylcholine mustard is 347.13 g/mol.
Where can I buy Benzilylcholine mustard?
You can request a quote for Benzilylcholine mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzilylcholine mustard?
Yes, KEHONG BIO provides custom synthesis services for Benzilylcholine mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.