3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
TL;DR: 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide (CAS 693256-33-6) is a chemical compound with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
Also Known As: 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide, 3-isobutoxy-N-((pyridin-3-ylmethyl)carbamothioyl)benzamide, 3-(2-methylpropoxy)-N-[(pyridin-3-ylmethyl)carbamothioyl]benzamide, 3-isobutoxy-N-{[(3-pyridinylmethyl)amino]carbonothioyl}benzamide
| Molecular Formula | C18H21N3O2S |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 2.9209 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.13544 |
| Heavy Atoms | 24 |
| Complexity | 689.67303 |
Chemical Identifiers
| CAS Number | 693256-33-6 |
|---|---|
| SMILES | CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CN=CC=C2 |
Product Overview
3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide (CAS 693256-33-6), with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol. IUPAC: 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide.
Chemical Property Profile of 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
Property Insights of 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
The XLogP value of 2.9209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide has 2 hydrogen bond donor(s) and 4 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-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The CAS number of 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is 693256-33-6.
What is the molecular formula of 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The molecular formula of 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is C18H21N3O2S.
What is the molecular weight of 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The molecular weight of 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is 343.14 g/mol.
Where can I buy 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
You can request a quote for 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylpropoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.