AN-698/42262007
TL;DR: AN-698/42262007 (CAS 701218-90-8) is a chemical compound with molecular formula C22H24N4O3S2 and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(benzylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AN-698/42262007, methyl 4-[[2-[[5-(benzylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, methyl 4-{[({5-[(benzylsulfanyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate, methyl 4-(2-((5-((benzylthio)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C22H24N4O3S2 |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 4.2488 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 456.129 |
| Heavy Atoms | 31 |
| Complexity | 1007.3553 |
Chemical Identifiers
| CAS Number | 701218-90-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CSCC3=CC=CC=C3 |
Product Overview
AN-698/42262007 (CAS 701218-90-8), with molecular formula C22H24N4O3S2 and molecular weight 456.13 g/mol. IUPAC: methyl 4-[[2-[[5-(benzylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AN-698/42262007
Property Insights of AN-698/42262007
The XLogP value of 4.2488 indicates that AN-698/42262007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42262007. Following Lipinski's Rule of Five, AN-698/42262007 has 1 hydrogen bond donor(s) and 7 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-698/42262007?
The CAS number of AN-698/42262007 is 701218-90-8.
What is the molecular formula of AN-698/42262007?
The molecular formula of AN-698/42262007 is C22H24N4O3S2.
What is the molecular weight of AN-698/42262007?
The molecular weight of AN-698/42262007 is 456.13 g/mol.
Where can I buy AN-698/42262007?
You can request a quote for AN-698/42262007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42262007?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42262007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.