![5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate structure](/static/products/3535/353516-19-5.webp)
5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate
TL;DR: 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate (CAS 353516-19-5) is a chemical compound with molecular formula C13H11N5O5S and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 2-methyl-5-nitrobenzenesulfonate
Also Known As: 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate, AN-652/15217024, (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 2-methyl-5-nitrobenzenesulfonate
| Molecular Formula | C13H11N5O5S |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 1.41704 |
| Topological Polar Surface Area | 129.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.0481 |
| Heavy Atoms | 24 |
| Complexity | 1059.7997 |
Chemical Identifiers
| CAS Number | 353516-19-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC(=NC3=NC=NN23)C |
Product Overview
5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate (CAS 353516-19-5), with molecular formula C13H11N5O5S and molecular weight 349.05 g/mol. IUPAC: (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 2-methyl-5-nitrobenzenesulfonate.
Chemical Property Profile of 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate
Property Insights of 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate
The XLogP value of 1.41704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate. The TPSA of 129.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate. Following Lipinski's Rule of Five, 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 8 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 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate?
The CAS number of 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate is 353516-19-5.
What is the molecular formula of 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate?
The molecular formula of 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate is C13H11N5O5S.
What is the molecular weight of 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate?
The molecular weight of 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate is 349.05 g/mol.
Where can I buy 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate?
You can request a quote for 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl 5-nitro-2-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.