![3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide structure](/static/products/7089/708991-27-9.webp)
3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
TL;DR: 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 708991-27-9) is a chemical compound with molecular formula C25H29N5O4S and molecular weight 495.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, 3,4-dimethoxy-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C25H29N5O4S |
|---|---|
| Molecular Weight | 495.19 g/mol |
| LogP | 3.3808 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 495.19403 |
| Heavy Atoms | 35 |
| Complexity | 1165.9188 |
Chemical Identifiers
| CAS Number | 708991-27-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 708991-27-9), with molecular formula C25H29N5O4S and molecular weight 495.19 g/mol. IUPAC: 3,4-dimethoxy-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Property Insights of 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
The XLogP value of 3.3808 indicates that 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-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 107.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide. Following Lipinski's Rule of Five, 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide has 2 hydrogen bond donor(s) and 7 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-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The CAS number of 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide is 708991-27-9.
What is the molecular formula of 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular formula of 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide is C25H29N5O4S.
What is the molecular weight of 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular weight of 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide is 495.19 g/mol.
Where can I buy 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide?
You can request a quote for 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-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-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.