1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea
TL;DR: 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea (CAS 785789-14-2) is a chemical compound with molecular formula C15H11Cl2N3O and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea
Also Known As: 1-(cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea
| Molecular Formula | C15H11Cl2N3O |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 4.55548 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.02792 |
| Heavy Atoms | 21 |
| Complexity | 683.06323 |
Chemical Identifiers
| CAS Number | 785789-14-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CC#N)C(=O)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea (CAS 785789-14-2), with molecular formula C15H11Cl2N3O and molecular weight 319.03 g/mol. IUPAC: 1-(cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea.
Chemical Property Profile of 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea
Property Insights of 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea
The XLogP value of 4.55548 indicates that 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea has 1 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 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea?
The CAS number of 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea is 785789-14-2.
What is the molecular formula of 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea?
The molecular formula of 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea is C15H11Cl2N3O.
What is the molecular weight of 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea?
The molecular weight of 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea is 319.03 g/mol.
Where can I buy 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea?
You can request a quote for 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.