1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea
TL;DR: 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea (CAS 21780-52-9) is a chemical compound with molecular formula C15H17N3S and molecular weight 271.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea
Also Known As: 1-ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea, N-ethyl-N'-phenyl-N-(4-pyridinylmethyl)thiourea, 3-ethyl-1-phenyl-3-[(pyridin-4-yl)methyl]thiourea, [ethyl(4-pyridylmethyl)amino](phenylamino)methane-1-thione, A3304/0140404
| Molecular Formula | C15H17N3S |
|---|---|
| Molecular Weight | 271.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.11432 |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 21780-52-9 |
|---|---|
| SMILES | CCN(CC1=CC=NC=C1)C(=S)NC2=CC=CC=C2 |
| InChIKey | NNPJGVWZZYRALN-UHFFFAOYSA-N |
Product Overview
1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea (CAS 21780-52-9), with molecular formula C15H17N3S and molecular weight 271.11 g/mol. IUPAC: 1-ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea.
Chemical Property Profile of 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea
Property Insights of 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea. Following Lipinski's Rule of Five, 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea 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-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea?
The CAS number of 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea is 21780-52-9.
What is the molecular formula of 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea?
The molecular formula of 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea is C15H17N3S.
What is the molecular weight of 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea?
The molecular weight of 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea is 271.11 g/mol.
Where can I buy 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea?
You can request a quote for 1-Ethyl-3-phenyl-1-(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-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-phenyl-1-(pyridin-4-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.