6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde
TL;DR: 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde (CAS 887580-91-8) 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.
6-amino-1-(4-methylphenyl)-4-oxo-2-sulfanylidenepyrimidine-5-carbaldehyde
Also Known As: 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde, AR-434/42804578, 6-amino-1-(4-methylphenyl)-4-oxo-2-sulfanylidenepyrimidine-5-carbaldehyde, 4-amino-3-(4-methylphenyl)-6-oxo-2-thioxo-1,3-dihydropyrimidine-5-carbaldehyde, 6-Amino-4-oxo-2-thioxo-1-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
| Molecular Formula | C12H11N3O2S |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 1.59821 |
| Topological Polar Surface Area | 80.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0572 |
| Heavy Atoms | 18 |
| Complexity | 713.5829 |
Chemical Identifiers
| CAS Number | 887580-91-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C=O)N |
Product Overview
6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde (CAS 887580-91-8), with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol. IUPAC: 6-amino-1-(4-methylphenyl)-4-oxo-2-sulfanylidenepyrimidine-5-carbaldehyde.
Chemical Property Profile of 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde
Property Insights of 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde
The XLogP value of 1.59821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde. The TPSA of 80.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde. Following Lipinski's Rule of Five, 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde has 2 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-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde?
The CAS number of 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde is 887580-91-8.
What is the molecular formula of 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde?
The molecular formula of 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde is C12H11N3O2S.
What is the molecular weight of 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde?
The molecular weight of 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde is 261.06 g/mol.
Where can I buy 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde?
You can request a quote for 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-1-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.