AB00684817-01
TL;DR: AB00684817-01 (CAS 852145-36-9) is a chemical compound with molecular formula C18H20N4O3S and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione
Also Known As: AB00684817-01, F0653-0372, 3-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)pentane-2,4-dione, 3-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione, 3-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentane-2,4-dione
| Molecular Formula | C18H20N4O3S |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 2.7115 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.1256 |
| Heavy Atoms | 26 |
| Complexity | 932.96875 |
Chemical Identifiers
| CAS Number | 852145-36-9 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC1=NN=C(N1CCOC)C2=CNC3=CC=CC=C32 |
Product Overview
AB00684817-01 (CAS 852145-36-9), with molecular formula C18H20N4O3S and molecular weight 372.13 g/mol. IUPAC: 3-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione.
Chemical Property Profile of AB00684817-01
Property Insights of AB00684817-01
The XLogP value of 2.7115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684817-01. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684817-01. Following Lipinski's Rule of Five, AB00684817-01 has 1 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 AB00684817-01?
The CAS number of AB00684817-01 is 852145-36-9.
What is the molecular formula of AB00684817-01?
The molecular formula of AB00684817-01 is C18H20N4O3S.
What is the molecular weight of AB00684817-01?
The molecular weight of AB00684817-01 is 372.13 g/mol.
Where can I buy AB00684817-01?
You can request a quote for AB00684817-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684817-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684817-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.