4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine
TL;DR: 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine (CAS 749191-11-5) is a chemical compound with molecular formula C4H4N4O2S and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-Amino-5-nitroso-2-thiouracil, 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine, 6-amino-5-nitroso-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-Amino-5-nitroso-2-thio-uracil, 4-(4-Fluorophenyl)benzoic acid
| Molecular Formula | C4H4N4O2S |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 0.41259 |
| Topological Polar Surface Area | 104.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.0055 |
| Heavy Atoms | 11 |
| Complexity | 391.8139 |
Chemical Identifiers
| CAS Number | 749191-11-5 |
|---|---|
| SMILES | C1(=C(NC(=S)NC1=O)N)N=O |
Product Overview
4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine (CAS 749191-11-5), with molecular formula C4H4N4O2S and molecular weight 172.01 g/mol. IUPAC: 6-amino-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine
Property Insights of 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine
The XLogP value of 0.41259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine. The TPSA of 104.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine. Following Lipinski's Rule of Five, 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine has 3 hydrogen bond donor(s) and 5 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 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine?
The CAS number of 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine is 749191-11-5.
What is the molecular formula of 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine?
The molecular formula of 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine is C4H4N4O2S.
What is the molecular weight of 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine?
The molecular weight of 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine is 172.01 g/mol.
Where can I buy 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine?
You can request a quote for 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.