![2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide structure](/static/products/7082/708230-46-0.webp)
2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide
TL;DR: 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 708230-46-0) is a chemical compound with molecular formula C22H23FIN5O2S and molecular weight 567.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[5-[2-(4-iodo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide, 2-fluoro-N-[[5-[2-(4-iodo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C22H23FIN5O2S |
|---|---|
| Molecular Weight | 567.06 g/mol |
| LogP | 4.343 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 567.0601 |
| Heavy Atoms | 32 |
| Complexity | 1135.259 |
Chemical Identifiers
| CAS Number | 708230-46-0 |
|---|---|
| SMILES | CC(C)C1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F |
Product Overview
2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 708230-46-0), with molecular formula C22H23FIN5O2S and molecular weight 567.06 g/mol. IUPAC: 2-fluoro-N-[[5-[2-(4-iodo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide
Property Insights of 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide
The XLogP value of 4.343 indicates that 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-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 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide. Following Lipinski's Rule of Five, 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The CAS number of 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide is 708230-46-0.
What is the molecular formula of 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular formula of 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide is C22H23FIN5O2S.
What is the molecular weight of 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular weight of 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide is 567.06 g/mol.
Where can I buy 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide?
You can request a quote for 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-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 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.