1-Phenyl-3-(pyridin-4-ylmethyl)thiourea
TL;DR: 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea (CAS 36726-57-5) is a chemical compound with molecular formula C13H13N3S and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(pyridin-4-ylmethyl)thiourea
Also Known As: 1-phenyl-3-(pyridin-4-ylmethyl)thiourea, N-phenyl-N'-(4-pyridinylmethyl)thiourea, 1-(4-Pyridinylmethyl)-3-phenylthiourea, N-phenyl-N'-(pyridin-4-ylmethyl)thiourea, 1-phenyl-3-[(pyridin-4-yl)methyl]thiourea
| Molecular Formula | C13H13N3S |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 2.5682 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08302 |
| Heavy Atoms | 17 |
| Complexity | 470.53796 |
Chemical Identifiers
| CAS Number | 36726-57-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCC2=CC=NC=C2 |
Product Overview
1-Phenyl-3-(pyridin-4-ylmethyl)thiourea (CAS 36726-57-5), with molecular formula C13H13N3S and molecular weight 243.08 g/mol. IUPAC: 1-phenyl-3-(pyridin-4-ylmethyl)thiourea.
Chemical Property Profile of 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea
Property Insights of 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea
The XLogP value of 2.5682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea. With a topological polar surface area (TPSA) of 36.95 Ų, 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea 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)thiourea?
The CAS number of 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea is 36726-57-5.
What is the molecular formula of 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea?
The molecular formula of 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea is C13H13N3S.
What is the molecular weight of 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea?
The molecular weight of 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea is 243.08 g/mol.
Where can I buy 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea?
You can request a quote for 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea 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)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(pyridin-4-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.