Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
TL;DR: Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate (CAS 321691-00-3) is a chemical compound with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv3_000604, 5-isopropoxy-2-methylpyridine, propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate, J2.705.923F, AA-504/34071061
| Molecular Formula | C15H18N2O2S |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 2.431 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.1089 |
| Heavy Atoms | 20 |
| Complexity | 552.2518 |
Chemical Identifiers
| CAS Number | 321691-00-3 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CC=C2)C(=O)OC(C)C |
Product Overview
Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate (CAS 321691-00-3), with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol. IUPAC: propan-2-yl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Property Insights of Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
The XLogP value of 2.431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate. With a topological polar surface area (TPSA) of 50.36 Ų, Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 3 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 Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate?
The CAS number of Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate is 321691-00-3.
What is the molecular formula of Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate?
The molecular formula of Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate is C15H18N2O2S.
What is the molecular weight of Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate?
The molecular weight of Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate is 290.11 g/mol.
Where can I buy Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate?
You can request a quote for Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.