AN-698/41466034
TL;DR: AN-698/41466034 (CAS 692260-89-2) is a chemical compound with molecular formula C21H29N5O2S and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[[4-methyl-5-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AN-698/41466034, 2-methyl-N-{[4-methyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, 2-methyl-N-[[4-methyl-5-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C21H29N5O2S |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 2.84052 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.2042 |
| Heavy Atoms | 29 |
| Complexity | 866.5064 |
Chemical Identifiers
| CAS Number | 692260-89-2 |
|---|---|
| SMILES | CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3C |
Product Overview
AN-698/41466034 (CAS 692260-89-2), with molecular formula C21H29N5O2S and molecular weight 415.20 g/mol. IUPAC: 2-methyl-N-[[4-methyl-5-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AN-698/41466034
Property Insights of AN-698/41466034
The XLogP value of 2.84052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-698/41466034. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/41466034. Following Lipinski's Rule of Five, AN-698/41466034 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 AN-698/41466034?
The CAS number of AN-698/41466034 is 692260-89-2.
What is the molecular formula of AN-698/41466034?
The molecular formula of AN-698/41466034 is C21H29N5O2S.
What is the molecular weight of AN-698/41466034?
The molecular weight of AN-698/41466034 is 415.20 g/mol.
Where can I buy AN-698/41466034?
You can request a quote for AN-698/41466034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41466034?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41466034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.