![2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid structure](/static/products/6078/60780-94-1.webp)
2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid
TL;DR: 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid (CAS 60780-94-1) is a chemical compound with molecular formula C12H10N4O4S and molecular weight 306.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[(5-nitro-2-pyridinyl)amino]-2-pyridinyl]sulfanyl]acetic acid
Also Known As: 6-Methyl-2-nitronicotinamid, 2-[3-[(5-nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid, J2.329.004I, [3-(5-Nitro-2-pyridylamino)-2-pyridylthio]acetic acid, ({3-[(5-NITROPYRIDIN-2-YL)AMINO]PYRIDIN-2-YL}SULFANYL)ACETIC ACID
| Molecular Formula | C12H10N4O4S |
|---|---|
| Molecular Weight | 306.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.04227 |
| Heavy Atoms | 21 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 60780-94-1 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCC(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SIMQAUFSBNNHDE-UHFFFAOYSA-N |
Product Overview
2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid (CAS 60780-94-1), with molecular formula C12H10N4O4S and molecular weight 306.04 g/mol. IUPAC: 2-[[3-[(5-nitro-2-pyridinyl)amino]-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid
Property Insights of 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid. The TPSA of 146.0 Ų indicates high polarity, suggesting 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid has 2 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 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid?
The CAS number of 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid is 60780-94-1.
What is the molecular formula of 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid?
The molecular formula of 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid is C12H10N4O4S.
What is the molecular weight of 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid?
The molecular weight of 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid is 306.04 g/mol.
Where can I buy 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid?
You can request a quote for 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-[(5-Nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.