1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile
TL;DR: 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile (CAS 70638-54-9) is a chemical compound with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also Known As: 6-(4-methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, BAS 00727657, 4-(4-methoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile, 6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, J2.990.606H
| Molecular Formula | C12H9N3O2S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 1.97977 |
| Topological Polar Surface Area | 81.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04153 |
| Heavy Atoms | 18 |
| Complexity | 722.7133 |
Chemical Identifiers
| CAS Number | 70638-54-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N |
Product Overview
1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile (CAS 70638-54-9), with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol. IUPAC: 6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile
Property Insights of 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile
The XLogP value of 1.97977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile. The TPSA of 81.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile 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 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile?
The CAS number of 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile is 70638-54-9.
What is the molecular formula of 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile?
The molecular formula of 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile is C12H9N3O2S.
What is the molecular weight of 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile?
The molecular weight of 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile is 259.04 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile?
You can request a quote for 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.