1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester
TL;DR: 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester (CAS 372184-22-0) is a chemical compound with molecular formula C17H20N6O3S and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
Also Known As: 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester, ethyl 1-methyl-6-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 1-methyl-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 3-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C17H20N6O3S |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 1.5157 |
| Topological Polar Surface Area | 102.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.13177 |
| Heavy Atoms | 27 |
| Complexity | 866.56354 |
Chemical Identifiers
| CAS Number | 372184-22-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CSC3=NN=NN3C |
Product Overview
1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester (CAS 372184-22-0), with molecular formula C17H20N6O3S and molecular weight 388.13 g/mol. IUPAC: ethyl 3-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester
Property Insights of 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester
The XLogP value of 1.5157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester. The TPSA of 102.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester. Following Lipinski's Rule of Five, 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester has 1 hydrogen bond donor(s) and 7 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-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester?
The CAS number of 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester is 372184-22-0.
What is the molecular formula of 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester?
The molecular formula of 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester is C17H20N6O3S.
What is the molecular weight of 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester?
The molecular weight of 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester is 388.13 g/mol.
Where can I buy 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester?
You can request a quote for 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-6-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-car boxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.