N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide
TL;DR: N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide (CAS 449790-36-7) is a chemical compound with molecular formula C22H18Cl2N2O2 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-bis[(4-chlorophenyl)methyl]benzene-1,3-dicarboxamide
Also Known As: N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide, 1-N,3-N-bis[(4-chlorophenyl)methyl]benzene-1,3-dicarboxamide, N,N'-bis(4-chlorobenzyl)benzene-1,3-dicarboxamide, N1N3-BIS[(4-CHLOROPHENYL)METHYL]BENZENE-13-DICARBOXAMIDE, N-[(4-chlorophenyl)methyl](3-{N-[(4-chlorophenyl)methyl]carbamoyl}phenyl)carbo xamide
| Molecular Formula | C22H18Cl2N2O2 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 4.8534 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.07452 |
| Heavy Atoms | 28 |
| Complexity | 893.83673 |
Chemical Identifiers
| CAS Number | 449790-36-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)Cl |
Product Overview
N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide (CAS 449790-36-7), with molecular formula C22H18Cl2N2O2 and molecular weight 412.07 g/mol. IUPAC: 1-N,3-N-bis[(4-chlorophenyl)methyl]benzene-1,3-dicarboxamide.
Chemical Property Profile of N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide
Property Insights of N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide
The XLogP value of 4.8534 indicates that N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide has 2 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 N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide?
The CAS number of N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide is 449790-36-7.
What is the molecular formula of N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide?
The molecular formula of N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide is C22H18Cl2N2O2.
What is the molecular weight of N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide?
The molecular weight of N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide is 412.07 g/mol.
Where can I buy N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide?
You can request a quote for N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide?
Yes, KEHONG BIO provides custom synthesis services for N~1~,N~3~-bis(4-chlorobenzyl)isophthalamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.