Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)-
TL;DR: Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)- (CAS 100678-35-1) is a chemical compound with molecular formula C18H20Cl2N2O and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]benzamide
Also Known As: Bis(beta-chloroethyl)-4-benzamidobenzylamine, 4'-((Bis(2-chloroethyl)amino)methyl)benzanilide, BENZANILIDE, 4'-((BIS(2-CHLOROETHYL)AMINO)METHYL)-, N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]benzamide, 4-13-00-00273 (Beilstein Handbook Reference)
| Molecular Formula | C18H20Cl2N2O |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.09528 |
| Heavy Atoms | 23 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 100678-35-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(CCCl)CCCl |
| InChIKey | HYJFLCXTLNZXOA-UHFFFAOYSA-N |
Product Overview
Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)- (CAS 100678-35-1), with molecular formula C18H20Cl2N2O and molecular weight 350.10 g/mol. IUPAC: N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]benzamide.
Chemical Property Profile of Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)-
Property Insights of Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)-
The XLogP value of 3.9 indicates that Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)- has 1 hydrogen bond donor(s) and 2 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 Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)-?
The CAS number of Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)- is 100678-35-1.
What is the molecular formula of Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)-?
The molecular formula of Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)- is C18H20Cl2N2O.
What is the molecular weight of Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)-?
The molecular weight of Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)- is 350.10 g/mol.
Where can I buy Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)-?
You can request a quote for Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzanilide, 4'-((bis(2-chloroethyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.