AB00684822-01
TL;DR: AB00684822-01 (CAS 852167-50-1) is a chemical compound with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione
Also Known As: AB00684822-01, F0653-0663, 3-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)pentane-2,4-dione, 3-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentane-2,4-dione, 3-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione
| Molecular Formula | C23H22N4O4S |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 4.0715 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.13617 |
| Heavy Atoms | 32 |
| Complexity | 1296.5751 |
Chemical Identifiers
| CAS Number | 852167-50-1 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC1=NN=C(N1C2=C(C=CC(=C2)OC)OC)C3=CNC4=CC=CC=C43 |
Product Overview
AB00684822-01 (CAS 852167-50-1), with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol. IUPAC: 3-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione.
Chemical Property Profile of AB00684822-01
Property Insights of AB00684822-01
The XLogP value of 4.0715 indicates that AB00684822-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684822-01. Following Lipinski's Rule of Five, AB00684822-01 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 AB00684822-01?
The CAS number of AB00684822-01 is 852167-50-1.
What is the molecular formula of AB00684822-01?
The molecular formula of AB00684822-01 is C23H22N4O4S.
What is the molecular weight of AB00684822-01?
The molecular weight of AB00684822-01 is 450.14 g/mol.
Where can I buy AB00684822-01?
You can request a quote for AB00684822-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684822-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684822-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.