Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)-
TL;DR: Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)- (CAS 28056-11-3) is a chemical compound with molecular formula C16H17Cl2N3O and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[bis(2-chloroethyl)amino]phenyl]pyridine-4-carboxamide
Also Known As: 4'-(Bis(2-chloroethyl)amino)isonicotinanilide, Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)-, p-Bis(beta-chloroethyl)aminoanilide of isonicotinic acid, 4'-(bis(2-chloroethyl)amino)-isonicotinanilide, n-{4-[bis(2-chloroethyl)amino]phenyl}pyridine-4-carboxamide
| Molecular Formula | C16H17Cl2N3O |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.07486 |
| Heavy Atoms | 22 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 28056-11-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=CC=NC=C2)N(CCCl)CCCl |
| InChIKey | LEFSIKCCDLFPPQ-UHFFFAOYSA-N |
Product Overview
Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)- (CAS 28056-11-3), with molecular formula C16H17Cl2N3O and molecular weight 337.07 g/mol. IUPAC: N-[4-[bis(2-chloroethyl)amino]phenyl]pyridine-4-carboxamide.
Chemical Property Profile of Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)-
Property Insights of Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)-
The XLogP value of 3.0 indicates that Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)- has 1 hydrogen bond donor(s) and 3 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 Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)-?
The CAS number of Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)- is 28056-11-3.
What is the molecular formula of Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)-?
The molecular formula of Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)- is C16H17Cl2N3O.
What is the molecular weight of Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)-?
The molecular weight of Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)- is 337.07 g/mol.
Where can I buy Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)-?
You can request a quote for Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinanilide, 4'-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.