6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid
TL;DR: 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid (CAS 20865-47-8) is a chemical compound with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-benzyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Also Known As: 4-amino-5-benzyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid, 6-Amino-5-benzyl-2-thioxo-1,2-dihydropyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylicacid, 6-amino-1,2-dihydro-5-(phenylmethyl)-2-thioxo-, 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid, 6-amino-5-benzyl-2-thioxo-1,2-dihydro-pyrimidine-4-carboxylic acid
| Molecular Formula | C12H11N3O2S |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 2.01039 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0572 |
| Heavy Atoms | 18 |
| Complexity | 637.5159 |
Chemical Identifiers
| CAS Number | 20865-47-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(NC(=S)N=C2N)C(=O)O |
Product Overview
6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid (CAS 20865-47-8), with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol. IUPAC: 4-amino-5-benzyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid
Property Insights of 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid
The XLogP value of 2.01039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid has 3 hydrogen bond donor(s) and 4 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 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid?
The CAS number of 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid is 20865-47-8.
What is the molecular formula of 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid?
The molecular formula of 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid is C12H11N3O2S.
What is the molecular weight of 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid?
The molecular weight of 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid is 261.06 g/mol.
Where can I buy 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid?
You can request a quote for 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-5-benzyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.