N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob
TL;DR: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob (CAS 91789-72-9) is a chemical compound with molecular formula C10H9N5O5S2 and molecular weight 343.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrobenzenesulfonamide
Also Known As: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob, N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrobenzenesulfonamide, N-(6-Amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)-2-nitrobenzene-1-sulfonamide, 2-nitro-N-(6-amino-1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinyl)benzenesulfonamide, N-(4-amino-6-oxo-2-sulfanylidene-3H-pyrimidin-5-yl)-2-nitro-benzenesulfonamide
| Molecular Formula | C10H9N5O5S2 |
|---|---|
| Molecular Weight | 343.00 g/mol |
| LogP | 0.72369 |
| Topological Polar Surface Area | 163.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.00452 |
| Heavy Atoms | 22 |
| Complexity | 962.1579 |
Chemical Identifiers
| CAS Number | 91789-72-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(NC(=S)NC2=O)N |
Product Overview
N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob (CAS 91789-72-9), with molecular formula C10H9N5O5S2 and molecular weight 343.00 g/mol. IUPAC: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrobenzenesulfonamide.
Chemical Property Profile of N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob
Property Insights of N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob
The XLogP value of 0.72369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob. The TPSA of 163.98 Ų indicates high polarity, suggesting N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob has 4 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 N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob?
The CAS number of N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob is 91789-72-9.
What is the molecular formula of N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob?
The molecular formula of N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob is C10H9N5O5S2.
What is the molecular weight of N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob?
The molecular weight of N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob is 343.00 g/mol.
Where can I buy N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob?
You can request a quote for N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob?
Yes, KEHONG BIO provides custom synthesis services for N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrob and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.