Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester
TL;DR: Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester (CAS 67497-48-7) is a chemical compound with molecular formula C28H47Cl2NOS and molecular weight 515.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[4-[bis(2-chloroethyl)amino]phenyl] octadecanethioate
Also Known As: Silane,dichlorodioctadecyl, S-(4-(Bis(2-chloroethyl)amino)phenyl) octadecanethioate, Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester, S-[4-[bis(2-chloroethyl)amino]phenyl] octadecanethioate, S-{4-[Bis(2-chloroethyl)amino]phenyl} octadecanethioate
| Molecular Formula | C28H47Cl2NOS |
|---|---|
| Molecular Weight | 515.28 g/mol |
| LogP | 9.8508 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Exact Mass | 515.2755 |
| Heavy Atoms | 33 |
| Complexity | 575.765 |
Chemical Identifiers
| CAS Number | 67497-48-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)SC1=CC=C(C=C1)N(CCCl)CCCl |
Product Overview
Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester (CAS 67497-48-7), with molecular formula C28H47Cl2NOS and molecular weight 515.28 g/mol. IUPAC: S-[4-[bis(2-chloroethyl)amino]phenyl] octadecanethioate.
Chemical Property Profile of Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester
Property Insights of Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester
The XLogP value of 9.8508 indicates that Octadecanethioic acid, S-(4-(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 20.31 Ų, Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester?
The CAS number of Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester is 67497-48-7.
What is the molecular formula of Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester?
The molecular formula of Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester is C28H47Cl2NOS.
What is the molecular weight of Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester?
The molecular weight of Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester is 515.28 g/mol.
Where can I buy Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester?
You can request a quote for Octadecanethioic acid, S-(4-(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 Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanethioic acid, S-(4-(bis(2-chloroethyl)amino)phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.