Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester
TL;DR: Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester (CAS 5908-54-3) is a chemical compound with molecular formula C12H17Cl2NO3S and molecular weight 325.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-[bis(2-chloroethyl)amino]ethanesulfonate
Also Known As: Atropine salicylate, Phenyl2-(bis ethanesulfonate, Phenyl 2-(bis(2-chloroethyl)amino)ethanesulfonate, phenyl 2-[bis(2-chloroethyl)amino]ethanesulfonate, Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester
| Molecular Formula | C12H17Cl2NO3S |
|---|---|
| Molecular Weight | 325.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 325.0306 |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 5908-54-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)CCN(CCCl)CCCl |
| InChIKey | WYGRTMGCDPQGQC-UHFFFAOYSA-N |
Product Overview
Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester (CAS 5908-54-3), with molecular formula C12H17Cl2NO3S and molecular weight 325.03 g/mol. IUPAC: phenyl 2-[bis(2-chloroethyl)amino]ethanesulfonate.
Chemical Property Profile of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester
Property Insights of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester. With a topological polar surface area (TPSA) of 55.0 Ų, Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester 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 Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester?
The CAS number of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester is 5908-54-3.
What is the molecular formula of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester?
The molecular formula of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester is C12H17Cl2NO3S.
What is the molecular weight of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester?
The molecular weight of Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester is 325.03 g/mol.
Where can I buy Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester?
You can request a quote for Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.