1-Phenyl-3-(pyridin-4-ylmethyl)urea
TL;DR: 1-Phenyl-3-(pyridin-4-ylmethyl)urea (CAS 35017-43-7) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(pyridin-4-ylmethyl)urea
Also Known As: 1-phenyl-3-(pyridin-4-ylmethyl)urea, 1-phenyl-3-[(pyridin-4-yl)methyl]urea, 1-Phenyl-3-pyridin-4-ylmethyl-urea, 1-Phenyl-3-(4-pyridylmethyl)urea, 3-(4-Pyridylmethyl)-1-phenylurea
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 35017-43-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NCC2=CC=NC=C2 |
| InChIKey | JNBHWDRNHXYUJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-(pyridin-4-ylmethyl)urea (CAS 35017-43-7), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 1-phenyl-3-(pyridin-4-ylmethyl)urea.
Chemical Property Profile of 1-Phenyl-3-(pyridin-4-ylmethyl)urea
Property Insights of 1-Phenyl-3-(pyridin-4-ylmethyl)urea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-(pyridin-4-ylmethyl)urea. With a topological polar surface area (TPSA) of 54.0 Ų, 1-Phenyl-3-(pyridin-4-ylmethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-(pyridin-4-ylmethyl)urea has 2 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-Phenyl-3-(pyridin-4-ylmethyl)urea?
The CAS number of 1-Phenyl-3-(pyridin-4-ylmethyl)urea is 35017-43-7.
What is the molecular formula of 1-Phenyl-3-(pyridin-4-ylmethyl)urea?
The molecular formula of 1-Phenyl-3-(pyridin-4-ylmethyl)urea is C13H13N3O.
What is the molecular weight of 1-Phenyl-3-(pyridin-4-ylmethyl)urea?
The molecular weight of 1-Phenyl-3-(pyridin-4-ylmethyl)urea is 227.11 g/mol.
Where can I buy 1-Phenyl-3-(pyridin-4-ylmethyl)urea?
You can request a quote for 1-Phenyl-3-(pyridin-4-ylmethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-(pyridin-4-ylmethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(pyridin-4-ylmethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.