1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea
TL;DR: 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea (CAS 300381-96-8) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(pyridin-2-ylcarbamothioyl)benzamide
Also Known As: BAS 00114049, 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea, 1-(4-methylbenzoyl)-3-(pyridin-2-yl)thiourea, 4-methyl-N-(pyridin-2-ylcarbamothioyl)benzamide, 4-methyl-N-[(2-pyridinylamino)carbonothioyl]benzamide
| Molecular Formula | C14H13N3OS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.07794 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 300381-96-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2 |
| InChIKey | XPEHVECTEMJBFN-UHFFFAOYSA-N |
Product Overview
1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea (CAS 300381-96-8), with molecular formula C14H13N3OS and molecular weight 271.08 g/mol. IUPAC: 4-methyl-N-(pyridin-2-ylcarbamothioyl)benzamide.
Chemical Property Profile of 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea
Property Insights of 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea
The XLogP value of 3.1 indicates that 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea. Following Lipinski's Rule of Five, 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea has 2 hydrogen bond donor(s) and 3 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-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea?
The CAS number of 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea is 300381-96-8.
What is the molecular formula of 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea?
The molecular formula of 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea is C14H13N3OS.
What is the molecular weight of 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea?
The molecular weight of 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea is 271.08 g/mol.
Where can I buy 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea?
You can request a quote for 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methyl-benzoyl)-3-pyridin-2-yl-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.