![2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide structure](/static/products/7130/713098-12-5.webp)
2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide
TL;DR: 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide (CAS 713098-12-5) is a chemical compound with molecular formula C23H25ClFN5O2S and molecular weight 489.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide
Also Known As: 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide, 2-chloro-N-{1-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide, 2-CHLORO-N-{1-[5-({[(2-FLUOROPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-METHYL-1,2,4-TRIAZOL-3-YL]-3-METHYLBUTYL}BENZAMIDE
| Molecular Formula | C23H25ClFN5O2S |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 4.8556 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.14017 |
| Heavy Atoms | 33 |
| Complexity | 1137.5444 |
Chemical Identifiers
| CAS Number | 713098-12-5 |
|---|---|
| SMILES | CC(C)CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2F)NC(=O)C3=CC=CC=C3Cl |
Product Overview
2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide (CAS 713098-12-5), with molecular formula C23H25ClFN5O2S and molecular weight 489.14 g/mol. IUPAC: 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide.
Chemical Property Profile of 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide
Property Insights of 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide
The XLogP value of 4.8556 indicates that 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]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-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide. Following Lipinski's Rule of Five, 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]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 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide?
The CAS number of 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide is 713098-12-5.
What is the molecular formula of 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide?
The molecular formula of 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide is C23H25ClFN5O2S.
What is the molecular weight of 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide?
The molecular weight of 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide is 489.14 g/mol.
Where can I buy 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide?
You can request a quote for 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[1-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.