C19H13N7O2S
TL;DR: C19H13N7O2S (CAS 1045799-28-7) is a chemical compound with molecular formula C19H13N7O2S and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-nitrophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 6-(4-nitrophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(4-nitrophenyl)-3-(5-phenyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, C19H13N7O2S
| Molecular Formula | C19H13N7O2S |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 3.6015 |
| Topological Polar Surface Area | 114.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.08514 |
| Heavy Atoms | 29 |
| Complexity | 1229.1984 |
Chemical Identifiers
| CAS Number | 1045799-28-7 |
|---|---|
| SMILES | C1C(=NN2C(=NN=C2S1)C3=CC(=NN3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
C19H13N7O2S (CAS 1045799-28-7), with molecular formula C19H13N7O2S and molecular weight 403.09 g/mol. IUPAC: 6-(4-nitrophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of C19H13N7O2S
Property Insights of C19H13N7O2S
The XLogP value of 3.6015 indicates that C19H13N7O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.89 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H13N7O2S. Following Lipinski's Rule of Five, C19H13N7O2S 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 C19H13N7O2S?
The CAS number of C19H13N7O2S is 1045799-28-7.
What is the molecular formula of C19H13N7O2S?
The molecular formula of C19H13N7O2S is C19H13N7O2S.
What is the molecular weight of C19H13N7O2S?
The molecular weight of C19H13N7O2S is 403.09 g/mol.
Where can I buy C19H13N7O2S?
You can request a quote for C19H13N7O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H13N7O2S?
Yes, KEHONG BIO provides custom synthesis services for C19H13N7O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.