Picolinanilide, 4'-(bis(2-chloroethyl)amino)-
TL;DR: Picolinanilide, 4'-(bis(2-chloroethyl)amino)- (CAS 28053-61-4) 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-2-carboxamide
Also Known As: 4'-(Bis(2-chloroethyl)amino)picolinanilide, Picolinanilide, 4'-(bis(2-chloroethyl)amino)-, p-Bis(beta-chloroethyl)aminoanilide of picolinic acid, n-{4-[bis(2-chloroethyl)amino]phenyl}pyridine-2-carboxamide, N-[4-[bis(2-chloroethyl)amino]phenyl]pyridine-2-carboxamide
| Molecular Formula | C16H17Cl2N3O |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 3.3 |
| 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 | 329.0 |
Chemical Identifiers
| CAS Number | 28053-61-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(=O)NC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | IRJGLIMCZAHUMC-UHFFFAOYSA-N |
Product Overview
Picolinanilide, 4'-(bis(2-chloroethyl)amino)- (CAS 28053-61-4), with molecular formula C16H17Cl2N3O and molecular weight 337.07 g/mol. IUPAC: N-[4-[bis(2-chloroethyl)amino]phenyl]pyridine-2-carboxamide.
Chemical Property Profile of Picolinanilide, 4'-(bis(2-chloroethyl)amino)-
Property Insights of Picolinanilide, 4'-(bis(2-chloroethyl)amino)-
The XLogP value of 3.3 indicates that Picolinanilide, 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, Picolinanilide, 4'-(bis(2-chloroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Picolinanilide, 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 Picolinanilide, 4'-(bis(2-chloroethyl)amino)-?
The CAS number of Picolinanilide, 4'-(bis(2-chloroethyl)amino)- is 28053-61-4.
What is the molecular formula of Picolinanilide, 4'-(bis(2-chloroethyl)amino)-?
The molecular formula of Picolinanilide, 4'-(bis(2-chloroethyl)amino)- is C16H17Cl2N3O.
What is the molecular weight of Picolinanilide, 4'-(bis(2-chloroethyl)amino)-?
The molecular weight of Picolinanilide, 4'-(bis(2-chloroethyl)amino)- is 337.07 g/mol.
Where can I buy Picolinanilide, 4'-(bis(2-chloroethyl)amino)-?
You can request a quote for Picolinanilide, 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 Picolinanilide, 4'-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Picolinanilide, 4'-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.