1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea
TL;DR: 1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea (CAS 101273-10-3) is a chemical compound with molecular formula C16H13Cl2N3O and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea
Also Known As: 1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea, [(3,4-dichlorophenyl)amino]-N-(2-cyanoethyl)-N-benzamide, 1-(2-Cyano-ethyl)-3-(3,4-dichloro-phenyl)-1-phenyl-urea
| Molecular Formula | C16H13Cl2N3O |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 4.94558 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.04358 |
| Heavy Atoms | 22 |
| Complexity | 698.2823 |
Chemical Identifiers
| CAS Number | 101273-10-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCC#N)C(=O)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea (CAS 101273-10-3), with molecular formula C16H13Cl2N3O and molecular weight 333.04 g/mol. IUPAC: 1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea.
Chemical Property Profile of 1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea
Property Insights of 1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea
The XLogP value of 4.94558 indicates that 1-(2-Cyanoethyl)-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-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Cyanoethyl)-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-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea?
The CAS number of 1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea is 101273-10-3.
What is the molecular formula of 1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea?
The molecular formula of 1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea is C16H13Cl2N3O.
What is the molecular weight of 1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea?
The molecular weight of 1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea is 333.04 g/mol.
Where can I buy 1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea?
You can request a quote for 1-(2-Cyanoethyl)-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-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyanoethyl)-3-(3,4-dichlorophenyl)-1-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.