![4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide structure](/static/products/1696/16963-78-3.webp)
4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide
TL;DR: 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide (CAS 16963-78-3) is a chemical compound with molecular formula C20H19Cl2N3O and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]-N-quinolin-5-ylbenzamide
Also Known As: 4-[bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide, Benzonitrile,4-(bis(2-chloroethyl)amino)-2-methyl, 4-[bis(2-chloroethyl)amino]-N-quinolin-5-ylbenzamide, Benzamide,4-[bis(2-chloroethyl)amino]-n-5-quinolinyl-
| Molecular Formula | C20H19Cl2N3O |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.0905 |
| Heavy Atoms | 26 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 16963-78-3 |
|---|---|
| SMILES | C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl |
| InChIKey | BUGBIROATHYNDL-UHFFFAOYSA-N |
Product Overview
4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide (CAS 16963-78-3), with molecular formula C20H19Cl2N3O and molecular weight 387.09 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]-N-quinolin-5-ylbenzamide.
Chemical Property Profile of 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide
Property Insights of 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide
The XLogP value of 4.3 indicates that 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide 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 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide?
The CAS number of 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide is 16963-78-3.
What is the molecular formula of 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide?
The molecular formula of 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide is C20H19Cl2N3O.
What is the molecular weight of 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide?
The molecular weight of 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide is 387.09 g/mol.
Where can I buy 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide?
You can request a quote for 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(2-chloroethyl)amino]-n-(quinolin-5-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.