propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
TL;DR: propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate (CAS 300697-65-8) is a chemical compound with molecular formula C15H17ClN2O2S and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate, F0153-0041, propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, isopropyl 4-(2-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C15H17ClN2O2S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.0844 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.06992 |
| Heavy Atoms | 21 |
| Complexity | 613.4461 |
Chemical Identifiers
| CAS Number | 300697-65-8 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)OC(C)C |
Product Overview
propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate (CAS 300697-65-8), with molecular formula C15H17ClN2O2S and molecular weight 324.07 g/mol. IUPAC: propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Property Insights of propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
The XLogP value of 3.0844 indicates that propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, propan-2-yl 6-(2-chlorophenyl)-4-methyl-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 6-(2-chlorophenyl)-4-methyl-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 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate?
The CAS number of propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate is 300697-65-8.
What is the molecular formula of propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate?
The molecular formula of propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate is C15H17ClN2O2S.
What is the molecular weight of propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate?
The molecular weight of propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate is 324.07 g/mol.
Where can I buy propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate?
You can request a quote for propan-2-yl 6-(2-chlorophenyl)-4-methyl-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 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.