N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide
TL;DR: N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide (CAS 40651-60-3) is a chemical compound with molecular formula C12H14Cl2N2O2 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis(2-chloroethyl)benzene-1,4-dicarboxamide
Also Known As: 1-N,4-N-bis(2-chloroethyl)benzene-1,4-dicarboxamide, N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide
| Molecular Formula | C12H14Cl2N2O2 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.04324 |
| Heavy Atoms | 18 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 40651-60-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCCCl)C(=O)NCCCl |
| InChIKey | CZLVODOSTDORJX-UHFFFAOYSA-N |
Product Overview
N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide (CAS 40651-60-3), with molecular formula C12H14Cl2N2O2 and molecular weight 288.04 g/mol. IUPAC: 1-N,4-N-bis(2-chloroethyl)benzene-1,4-dicarboxamide.
Chemical Property Profile of N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide
Property Insights of N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide. With a topological polar surface area (TPSA) of 58.2 Ų, N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide 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~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide?
The CAS number of N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide is 40651-60-3.
What is the molecular formula of N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide?
The molecular formula of N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide is C12H14Cl2N2O2.
What is the molecular weight of N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide?
The molecular weight of N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide is 288.04 g/mol.
Where can I buy N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide?
You can request a quote for N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide 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~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N~1~,N~4~-Bis(2-chloroethyl)benzene-1,4-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.