AN-698/41761679
TL;DR: AN-698/41761679 (CAS 665016-96-6) is a chemical compound with molecular formula C22H31N5O3S and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
Also Known As: AN-698/41761679, N-cyclohexyl-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide, N-cyclohexyl-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
| Molecular Formula | C22H31N5O3S |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 2.7065 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 445.21475 |
| Heavy Atoms | 31 |
| Complexity | 862.5314 |
Chemical Identifiers
| CAS Number | 665016-96-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)CC3=CC=C(C=C3)OC |
Product Overview
AN-698/41761679 (CAS 665016-96-6), with molecular formula C22H31N5O3S and molecular weight 445.21 g/mol. IUPAC: N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
Chemical Property Profile of AN-698/41761679
Property Insights of AN-698/41761679
The XLogP value of 2.7065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-698/41761679. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/41761679. Following Lipinski's Rule of Five, AN-698/41761679 has 2 hydrogen bond donor(s) and 6 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-698/41761679?
The CAS number of AN-698/41761679 is 665016-96-6.
What is the molecular formula of AN-698/41761679?
The molecular formula of AN-698/41761679 is C22H31N5O3S.
What is the molecular weight of AN-698/41761679?
The molecular weight of AN-698/41761679 is 445.21 g/mol.
Where can I buy AN-698/41761679?
You can request a quote for AN-698/41761679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41761679?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41761679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.