![5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H structure](/static/products/3134/31349-29-8.webp)
5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H
TL;DR: 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H (CAS 31349-29-8) is a chemical compound with molecular formula C12H9N3O5S and molecular weight 307.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
Also Known As: 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H, 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde, 5-[(2-Hydroxy-5-nitrophenyl)methyl]-6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
| Molecular Formula | C12H9N3O5S |
|---|---|
| Molecular Weight | 307.03 g/mol |
| LogP | 1.44959 |
| Topological Polar Surface Area | 129.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.0263 |
| Heavy Atoms | 21 |
| Complexity | 839.517 |
Chemical Identifiers
| CAS Number | 31349-29-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CC2=C(NC(=S)NC2=O)C=O)O |
Product Overview
5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H (CAS 31349-29-8), with molecular formula C12H9N3O5S and molecular weight 307.03 g/mol. IUPAC: 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde.
Chemical Property Profile of 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H
Property Insights of 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H
The XLogP value of 1.44959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H. The TPSA of 129.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H. Following Lipinski's Rule of Five, 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H has 3 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 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H?
The CAS number of 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H is 31349-29-8.
What is the molecular formula of 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H?
The molecular formula of 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H is C12H9N3O5S.
What is the molecular weight of 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H?
The molecular weight of 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H is 307.03 g/mol.
Where can I buy 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H?
You can request a quote for 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.