6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate
TL;DR: 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate (CAS 219930-84-4) is a chemical compound with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-2-nitro-3-pyridinyl) 4-methylbenzenesulfonate
Also Known As: Maybridge1_001781, 6-methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate, (6-methyl-2-nitropyridin-3-yl) 4-methylbenzenesulfonate
| Molecular Formula | C13H12N2O5S |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 2.37434 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0467 |
| Heavy Atoms | 21 |
| Complexity | 784.709 |
Chemical Identifiers
| CAS Number | 219930-84-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C=C2)C)[N+](=O)[O-] |
Product Overview
6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate (CAS 219930-84-4), with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol. IUPAC: (6-methyl-2-nitro-3-pyridinyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate
Property Insights of 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate
The XLogP value of 2.37434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate has 0 hydrogen bond donor(s) and 6 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 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate?
The CAS number of 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate is 219930-84-4.
What is the molecular formula of 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate?
The molecular formula of 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate is C13H12N2O5S.
What is the molecular weight of 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate?
The molecular weight of 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate is 308.05 g/mol.
Where can I buy 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate?
You can request a quote for 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2-nitropyridin-3-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.