1,3-Bis(4-cyanophenyl)urea
TL;DR: 1,3-Bis(4-cyanophenyl)urea (CAS 100953-84-2) is a chemical compound with molecular formula C15H10N4O and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-cyanophenyl)urea
Also Known As: 1,3-bis(4-cyanophenyl)urea, Urea, N,N'-bis(4-cyanophenyl)-, N,N'-bis(4-cyanophenyl)urea, 4,4 -Ureylenebisbenzonitrile, Urea,N,N'-bis(4-cyanophenyl)-
| Molecular Formula | C15H10N4O |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 3.07396 |
| Topological Polar Surface Area | 88.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.08545 |
| Heavy Atoms | 20 |
| Complexity | 629.13873 |
Chemical Identifiers
| CAS Number | 100953-84-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC(=O)NC2=CC=C(C=C2)C#N |
Product Overview
1,3-Bis(4-cyanophenyl)urea (CAS 100953-84-2), with molecular formula C15H10N4O and molecular weight 262.09 g/mol. IUPAC: 1,3-bis(4-cyanophenyl)urea.
Chemical Property Profile of 1,3-Bis(4-cyanophenyl)urea
Property Insights of 1,3-Bis(4-cyanophenyl)urea
The XLogP value of 3.07396 indicates that 1,3-Bis(4-cyanophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-cyanophenyl)urea. Following Lipinski's Rule of Five, 1,3-Bis(4-cyanophenyl)urea has 2 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-cyanophenyl)urea?
The CAS number of 1,3-Bis(4-cyanophenyl)urea is 100953-84-2.
What is the molecular formula of 1,3-Bis(4-cyanophenyl)urea?
The molecular formula of 1,3-Bis(4-cyanophenyl)urea is C15H10N4O.
What is the molecular weight of 1,3-Bis(4-cyanophenyl)urea?
The molecular weight of 1,3-Bis(4-cyanophenyl)urea is 262.09 g/mol.
Where can I buy 1,3-Bis(4-cyanophenyl)urea?
You can request a quote for 1,3-Bis(4-cyanophenyl)urea 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-cyanophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-cyanophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.