AF-399/15034004
TL;DR: AF-399/15034004 (CAS 385403-52-1) is a chemical compound with molecular formula C26H22N6O4S and molecular weight 514.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
Also Known As: AF-399/15034004, 2-[[4,5-Bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide, 2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide, 2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide, (Z)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-oxoindolin-3-ylidene)acetohydrazide
| Molecular Formula | C26H22N6O4S |
|---|---|
| Molecular Weight | 514.14 g/mol |
| LogP | 5.541 |
| Topological Polar Surface Area | 126.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.14233 |
| Heavy Atoms | 37 |
| Complexity | 1575.4851 |
Chemical Identifiers
| CAS Number | 385403-52-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N=NC4=C(NC5=CC=CC=C54)O |
Product Overview
AF-399/15034004 (CAS 385403-52-1), with molecular formula C26H22N6O4S and molecular weight 514.14 g/mol. IUPAC: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
Chemical Property Profile of AF-399/15034004
Property Insights of AF-399/15034004
The XLogP value of 5.541 indicates that AF-399/15034004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15034004. Following Lipinski's Rule of Five, AF-399/15034004 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15034004?
The CAS number of AF-399/15034004 is 385403-52-1.
What is the molecular formula of AF-399/15034004?
The molecular formula of AF-399/15034004 is C26H22N6O4S.
What is the molecular weight of AF-399/15034004?
The molecular weight of AF-399/15034004 is 514.14 g/mol.
Where can I buy AF-399/15034004?
You can request a quote for AF-399/15034004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15034004?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15034004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.