![3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine structure](/static/products/5985/59851-31-9.webp)
3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine
TL;DR: 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine (CAS 59851-31-9) is a chemical compound with molecular formula C22H15N3S and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanylphenanthro[9,10-e][1,2,4]triazine
Also Known As: NCIStruc1_001681, NCIStruc2_001424, NCI60_002844, 3-benzylsulfanylphenanthro[9,10-e][1,2,4]triazine, 3-(Benzylsulfanyl)phenanthro[9,10-e][1,2,4]triazine
| Molecular Formula | C22H15N3S |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.09866 |
| Heavy Atoms | 26 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 59851-31-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2 |
| InChIKey | VNLBCJYVPMIDDO-UHFFFAOYSA-N |
Product Overview
3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine (CAS 59851-31-9), with molecular formula C22H15N3S and molecular weight 353.10 g/mol. IUPAC: 3-benzylsulfanylphenanthro[9,10-e][1,2,4]triazine.
Chemical Property Profile of 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine
Property Insights of 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine
The XLogP value of 4.6 indicates that 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine. Following Lipinski's Rule of Five, 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine has 0 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 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine?
The CAS number of 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine is 59851-31-9.
What is the molecular formula of 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine?
The molecular formula of 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine is C22H15N3S.
What is the molecular weight of 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine?
The molecular weight of 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine is 353.10 g/mol.
Where can I buy 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine?
You can request a quote for 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.