3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide
TL;DR: 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide (CAS 577998-38-0) is a chemical compound with molecular formula C13H16N6O2S and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
Also Known As: 3-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide, 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide, 3-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide, 3-methoxy-N-{[(2-propyl-2H-tetrazol-5-yl)amino]carbonothioyl}benzamide
| Molecular Formula | C13H16N6O2S |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 1.2185 |
| Topological Polar Surface Area | 93.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.10553 |
| Heavy Atoms | 22 |
| Complexity | 672.0549 |
Chemical Identifiers
| CAS Number | 577998-38-0 |
|---|---|
| SMILES | CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)OC |
Product Overview
3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide (CAS 577998-38-0), with molecular formula C13H16N6O2S and molecular weight 320.11 g/mol. IUPAC: 3-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide
Property Insights of 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide
The XLogP value of 1.2185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide. The TPSA of 93.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide. Following Lipinski's Rule of Five, 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide has 2 hydrogen bond donor(s) and 6 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-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide?
The CAS number of 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide is 577998-38-0.
What is the molecular formula of 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide?
The molecular formula of 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide is C13H16N6O2S.
What is the molecular weight of 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide?
The molecular weight of 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide is 320.11 g/mol.
Where can I buy 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide?
You can request a quote for 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-N-((2-propyl-2H-tetrazol-5-yl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.