![3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide structure](/static/products/6650/665018-74-6.webp)
3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
TL;DR: 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 665018-74-6) is a chemical compound with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: CBKinase1_003888, CBKinase1_016288, 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide, AN-698/42116988, BRD-K17871545-001-01-0
| Molecular Formula | C13H16N4O3S |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 1.42489 |
| Topological Polar Surface Area | 81.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.0943 |
| Heavy Atoms | 21 |
| Complexity | 707.6822 |
Chemical Identifiers
| CAS Number | 665018-74-6 |
|---|---|
| SMILES | CN1C(=NNC1=S)CNC(=O)C2=CC(=C(C=C2)OC)OC |
Product Overview
3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 665018-74-6), with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol. IUPAC: 3,4-dimethoxy-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Property Insights of 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
The XLogP value of 1.42489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide. The TPSA of 81.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide. Following Lipinski's Rule of Five, 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide 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 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The CAS number of 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is 665018-74-6.
What is the molecular formula of 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular formula of 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is C13H16N4O3S.
What is the molecular weight of 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular weight of 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is 308.09 g/mol.
Where can I buy 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
You can request a quote for 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethoxy-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.