![3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide structure](/static/products/7130/713097-60-0.webp)
3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
TL;DR: 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 713097-60-0) is a chemical compound with molecular formula C27H25N5O4S2 and molecular weight 547.13 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-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide, 3,4-dimethoxy-N-[[4-methyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, 3,4-DIMETHOXY-N-[(4-METHYL-5-{[2-OXO-2-(PHENOTHIAZIN-10-YL)ETHYL]SULFANYL}-1,2,4-TRIAZOL-3-YL)METHYL]BENZAMIDE
| Molecular Formula | C27H25N5O4S2 |
|---|---|
| Molecular Weight | 547.13 g/mol |
| LogP | 4.6839 |
| Topological Polar Surface Area | 98.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.1348 |
| Heavy Atoms | 38 |
| Complexity | 1461.0787 |
Chemical Identifiers
| CAS Number | 713097-60-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CNC(=O)C5=CC(=C(C=C5)OC)OC |
Product Overview
3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 713097-60-0), with molecular formula C27H25N5O4S2 and molecular weight 547.13 g/mol. IUPAC: 3,4-dimethoxy-N-[[4-methyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
Property Insights of 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
The XLogP value of 4.6839 indicates that 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide. Following Lipinski's Rule of Five, 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The CAS number of 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide is 713097-60-0.
What is the molecular formula of 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular formula of 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide is C27H25N5O4S2.
What is the molecular weight of 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular weight of 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide is 547.13 g/mol.
Where can I buy 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide?
You can request a quote for 3,4-dimethoxy-N-[(4-methyl-5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]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-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]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-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.