Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester
TL;DR: Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester (CAS 69884-95-3) is a chemical compound with molecular formula C16H17Cl2NO3S and molecular weight 373.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate
Also Known As: Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester, m-(Bis(2-chloroethyl)amino)benzenesulfonic acid phenyl ester, phenyl 3-[bis(2-chloroethyl)amino]benzene-1-sulfonate, phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate, N,N-BIS(2-CHLOROETHYL)-3-PHENOXYSULFONYL-ANILINE
| Molecular Formula | C16H17Cl2NO3S |
|---|---|
| Molecular Weight | 373.03 g/mol |
| LogP | 3.7383 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.0306 |
| Heavy Atoms | 23 |
| Complexity | 717.11505 |
Chemical Identifiers
| CAS Number | 69884-95-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)N(CCCl)CCCl |
Product Overview
Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester (CAS 69884-95-3), with molecular formula C16H17Cl2NO3S and molecular weight 373.03 g/mol. IUPAC: phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester
Property Insights of Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester
The XLogP value of 3.7383 indicates that Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, m-(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 Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester?
The CAS number of Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester is 69884-95-3.
What is the molecular formula of Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester?
The molecular formula of Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester is C16H17Cl2NO3S.
What is the molecular weight of Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester?
The molecular weight of Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester is 373.03 g/mol.
Where can I buy Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester?
You can request a quote for Benzenesulfonic acid, m-(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 Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, m-(bis(2-chloroethyl)amino)-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.