A3841/0163098
TL;DR: A3841/0163098 (CAS 728013-15-8) is a chemical compound with molecular formula C19H15N5O2S and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-acetylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: A3841/0163098, 2-{[4-(4-acetylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one, 2-((4-(4-acetylphenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one, 2-[[4-(4-acetylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one, 2-{[4-(4-ACETYLPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-3-YL]METHYL}-1(2H)-PHTHALAZINONE
| Molecular Formula | C19H15N5O2S |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 2.89069 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.09464 |
| Heavy Atoms | 27 |
| Complexity | 1267.7449 |
Chemical Identifiers
| CAS Number | 728013-15-8 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3 |
Product Overview
A3841/0163098 (CAS 728013-15-8), with molecular formula C19H15N5O2S and molecular weight 377.09 g/mol. IUPAC: 2-[[4-(4-acetylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
Chemical Property Profile of A3841/0163098
Property Insights of A3841/0163098
The XLogP value of 2.89069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3841/0163098. The TPSA of 85.57 Ų falls within the moderate polarity range, balancing permeability and solubility for A3841/0163098. Following Lipinski's Rule of Five, A3841/0163098 has 1 hydrogen bond donor(s) and 5 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 A3841/0163098?
The CAS number of A3841/0163098 is 728013-15-8.
What is the molecular formula of A3841/0163098?
The molecular formula of A3841/0163098 is C19H15N5O2S.
What is the molecular weight of A3841/0163098?
The molecular weight of A3841/0163098 is 377.09 g/mol.
Where can I buy A3841/0163098?
You can request a quote for A3841/0163098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3841/0163098?
Yes, KEHONG BIO provides custom synthesis services for A3841/0163098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.