A3917/0166652
TL;DR: A3917/0166652 (CAS 838893-44-0) is a chemical compound with molecular formula C20H19N5OS and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one
Also Known As: A3917/0166652, 2-(2-(5-mercapto-4-(1-phenylethyl)-4H-1,2,4-triazol-3-yl)ethyl)phthalazin-1(2H)-one, 2-[2-[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one, 2-{2-[4-(1-PHENYLETHYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-3-YL]ETHYL}-1(2H)-PHTHALAZINONE, 2-{2-[4-(1-phenylethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
| Molecular Formula | C20H19N5OS |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 3.50259 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.13104 |
| Heavy Atoms | 27 |
| Complexity | 1192.1993 |
Chemical Identifiers
| CAS Number | 838893-44-0 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC=C4C=N3 |
Product Overview
A3917/0166652 (CAS 838893-44-0), with molecular formula C20H19N5OS and molecular weight 377.13 g/mol. IUPAC: 2-[2-[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one.
Chemical Property Profile of A3917/0166652
Property Insights of A3917/0166652
The XLogP value of 3.50259 indicates that A3917/0166652 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for A3917/0166652. Following Lipinski's Rule of Five, A3917/0166652 has 1 hydrogen bond donor(s) and 4 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 A3917/0166652?
The CAS number of A3917/0166652 is 838893-44-0.
What is the molecular formula of A3917/0166652?
The molecular formula of A3917/0166652 is C20H19N5OS.
What is the molecular weight of A3917/0166652?
The molecular weight of A3917/0166652 is 377.13 g/mol.
Where can I buy A3917/0166652?
You can request a quote for A3917/0166652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3917/0166652?
Yes, KEHONG BIO provides custom synthesis services for A3917/0166652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.