![3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide structure](/static/products/7012/701241-07-8.webp)
3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide
TL;DR: 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 701241-07-8) is a chemical compound with molecular formula C25H29N5O2S and molecular weight 463.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[[5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide, 3-methyl-N-[[5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C25H29N5O2S |
|---|---|
| Molecular Weight | 463.20 g/mol |
| LogP | 4.55672 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 463.2042 |
| Heavy Atoms | 33 |
| Complexity | 1122.0809 |
Chemical Identifiers
| CAS Number | 701241-07-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(C)C |
Product Overview
3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 701241-07-8), with molecular formula C25H29N5O2S and molecular weight 463.20 g/mol. IUPAC: 3-methyl-N-[[5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide
Property Insights of 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide
The XLogP value of 4.55672 indicates that 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]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 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]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-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]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 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-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The CAS number of 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide is 701241-07-8.
What is the molecular formula of 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular formula of 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide is C25H29N5O2S.
What is the molecular weight of 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular weight of 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide is 463.20 g/mol.
Where can I buy 3-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]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-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]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-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]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-methyl-N-({5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]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.