1,3-Bis(4-chlorobenzyl)-1-nitrosourea
TL;DR: 1,3-Bis(4-chlorobenzyl)-1-nitrosourea (CAS 60285-27-0) is a chemical compound with molecular formula C15H13Cl2N3O2 and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[(4-chlorophenyl)methyl]-1-nitrosourea
Also Known As: 1,3-bis(4-chlorobenzyl)-1-nitrosourea, KST-1B7143, 1,3-bis[(4-chlorophenyl)methyl]-1-nitrosourea, N,N'-Bis[(4-chlorophenyl)methyl]-N-nitrosourea, 1-(2-chloroethyl)-4-(4-fluorobenzoyl)piperidine
| Molecular Formula | C15H13Cl2N3O2 |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.03848 |
| Heavy Atoms | 22 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 60285-27-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)N(CC2=CC=C(C=C2)Cl)N=O)Cl |
| InChIKey | RAQCGIIPMQIIAB-UHFFFAOYSA-N |
Product Overview
1,3-Bis(4-chlorobenzyl)-1-nitrosourea (CAS 60285-27-0), with molecular formula C15H13Cl2N3O2 and molecular weight 337.04 g/mol. IUPAC: 1,3-bis[(4-chlorophenyl)methyl]-1-nitrosourea.
Chemical Property Profile of 1,3-Bis(4-chlorobenzyl)-1-nitrosourea
Property Insights of 1,3-Bis(4-chlorobenzyl)-1-nitrosourea
The XLogP value of 4.1 indicates that 1,3-Bis(4-chlorobenzyl)-1-nitrosourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-chlorobenzyl)-1-nitrosourea. Following Lipinski's Rule of Five, 1,3-Bis(4-chlorobenzyl)-1-nitrosourea 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 1,3-Bis(4-chlorobenzyl)-1-nitrosourea?
The CAS number of 1,3-Bis(4-chlorobenzyl)-1-nitrosourea is 60285-27-0.
What is the molecular formula of 1,3-Bis(4-chlorobenzyl)-1-nitrosourea?
The molecular formula of 1,3-Bis(4-chlorobenzyl)-1-nitrosourea is C15H13Cl2N3O2.
What is the molecular weight of 1,3-Bis(4-chlorobenzyl)-1-nitrosourea?
The molecular weight of 1,3-Bis(4-chlorobenzyl)-1-nitrosourea is 337.04 g/mol.
Where can I buy 1,3-Bis(4-chlorobenzyl)-1-nitrosourea?
You can request a quote for 1,3-Bis(4-chlorobenzyl)-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4-chlorobenzyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-chlorobenzyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.