AN-698/42117049
TL;DR: AN-698/42117049 (CAS 723297-40-3) is a chemical compound with molecular formula C22H25N5O5S and molecular weight 471.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AN-698/42117049, 3,4-dimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide, 3,4-dimethoxy-N-{[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide, 3,4-Dimethoxy-N-((5-((2-((2-methoxyphenyl)amino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide, 3,4-dimethoxy-N-[(5-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C22H25N5O5S |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 2.5017 |
| Topological Polar Surface Area | 116.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 471.15765 |
| Heavy Atoms | 33 |
| Complexity | 1134.1144 |
Chemical Identifiers
| CAS Number | 723297-40-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CNC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
AN-698/42117049 (CAS 723297-40-3), with molecular formula C22H25N5O5S and molecular weight 471.16 g/mol. IUPAC: 3,4-dimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AN-698/42117049
Property Insights of AN-698/42117049
The XLogP value of 2.5017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-698/42117049. The TPSA of 116.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42117049. Following Lipinski's Rule of Five, AN-698/42117049 has 2 hydrogen bond donor(s) and 8 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 AN-698/42117049?
The CAS number of AN-698/42117049 is 723297-40-3.
What is the molecular formula of AN-698/42117049?
The molecular formula of AN-698/42117049 is C22H25N5O5S.
What is the molecular weight of AN-698/42117049?
The molecular weight of AN-698/42117049 is 471.16 g/mol.
Where can I buy AN-698/42117049?
You can request a quote for AN-698/42117049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42117049?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42117049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.