![3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea structure](/static/products/5367/536725-46-9.webp)
3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea
TL;DR: 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea (CAS 536725-46-9) is a chemical compound with molecular formula C18H15ClN4O2S and molecular weight 386.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide
Also Known As: 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea, 3-(2-chlorophenyl)-5-methyl-N-((pyridin-3-ylmethyl)carbamothioyl)isoxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-{[(3-pyridinylmethyl)amino]carbonothioyl}-4-isoxazolecarboxamide
| Molecular Formula | C18H15ClN4O2S |
|---|---|
| Molecular Weight | 386.06 g/mol |
| LogP | 3.50292 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.06042 |
| Heavy Atoms | 26 |
| Complexity | 943.37396 |
Chemical Identifiers
| CAS Number | 536725-46-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCC3=CN=CC=C3 |
Product Overview
3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea (CAS 536725-46-9), with molecular formula C18H15ClN4O2S and molecular weight 386.06 g/mol. IUPAC: 3-(2-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea
Property Insights of 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea
The XLogP value of 3.50292 indicates that 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea. Following Lipinski's Rule of Five, 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea has 2 hydrogen bond donor(s) and 5 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 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea?
The CAS number of 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea is 536725-46-9.
What is the molecular formula of 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea?
The molecular formula of 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea is C18H15ClN4O2S.
What is the molecular weight of 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea?
The molecular weight of 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea is 386.06 g/mol.
Where can I buy 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea?
You can request a quote for 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.