4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
TL;DR: 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid (CAS 20865-49-0) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Also Known As: 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-, 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid, 6-Amino-5-(4-methoxyphenyl)-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid, 6-Amino-5-(4-methoxyphenyl)-2-sulfanylidene-3h-pyrimidine-4-carboxylic acid
| Molecular Formula | C12H11N3O3S |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 2.09519 |
| Topological Polar Surface Area | 101.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.05212 |
| Heavy Atoms | 19 |
| Complexity | 679.60925 |
Chemical Identifiers
| CAS Number | 20865-49-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(NC(=S)N=C2N)C(=O)O |
Product Overview
4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid (CAS 20865-49-0), with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol. IUPAC: 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Property Insights of 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
The XLogP value of 2.09519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid. The TPSA of 101.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid. Following Lipinski's Rule of Five, 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid 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-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid?
The CAS number of 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid is 20865-49-0.
What is the molecular formula of 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid?
The molecular formula of 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid is C12H11N3O3S.
What is the molecular weight of 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid?
The molecular weight of 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid is 277.05 g/mol.
Where can I buy 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid?
You can request a quote for 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.