Debcadb
TL;DR: Debcadb (CAS 142439-63-2) is a chemical compound with molecular formula C15H21Cl2N5O5 and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(2-chloroethyl)amino]-N-[2-(dimethylamino)ethyl]-2,4-dinitrobenzamide
Also Known As: Debcadb, N-((N,N-Dimethylamino)ethyl)-5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide, 5-(Bis(2-chloroethyl)amino)-N-(2-(dimethylamino)ethyl)-2,4-dinitrobenzamide, 5-[bis(2-chloroethyl)amino]-N-[2-(dimethylamino)ethyl]-2,4-dinitrobenzamide, Benzamide,5-[bis(2-chloroethyl)amino]-N-[2-(dimethylamino)ethyl]-2,4-dinitro-
| Molecular Formula | C15H21Cl2N5O5 |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.09198 |
| Heavy Atoms | 27 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 142439-63-2 |
|---|---|
| SMILES | CN(C)CCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl |
| InChIKey | KHXWXJZPAQGKDJ-UHFFFAOYSA-N |
Product Overview
Debcadb (CAS 142439-63-2), with molecular formula C15H21Cl2N5O5 and molecular weight 421.09 g/mol. IUPAC: 5-[bis(2-chloroethyl)amino]-N-[2-(dimethylamino)ethyl]-2,4-dinitrobenzamide.
Chemical Property Profile of Debcadb
Property Insights of Debcadb
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Debcadb. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Debcadb. Following Lipinski's Rule of Five, Debcadb has 1 hydrogen bond donor(s) and 7 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 Debcadb?
The CAS number of Debcadb is 142439-63-2.
What is the molecular formula of Debcadb?
The molecular formula of Debcadb is C15H21Cl2N5O5.
What is the molecular weight of Debcadb?
The molecular weight of Debcadb is 421.09 g/mol.
Where can I buy Debcadb?
You can request a quote for Debcadb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Debcadb?
Yes, KEHONG BIO provides custom synthesis services for Debcadb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.