methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate
TL;DR: methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate (CAS 836644-27-0) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1H-indol-3-ylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate
Also Known As: methyl 4-((1H-indol-3-yl)thio)-6-hydroxy-2-phenylpyrimidine-5-carboxylate, methyl 4-(1H-indol-3-ylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate, methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 3.856 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1182.029 |
Chemical Identifiers
| CAS Number | 836644-27-0 |
|---|---|
| SMILES | COC(=O)C1=C(N=C(NC1=O)C2=CC=CC=C2)SC3=CNC4=CC=CC=C43 |
Product Overview
methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate (CAS 836644-27-0), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: methyl 4-(1H-indol-3-ylsulfanyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate
Property Insights of methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate
The XLogP value of 3.856 indicates that methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate. Following Lipinski's Rule of Five, methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 5 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 methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate?
The CAS number of methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate is 836644-27-0.
What is the molecular formula of methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate?
The molecular formula of methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate is C20H15N3O3S.
What is the molecular weight of methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate?
The molecular weight of methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate is 377.08 g/mol.
Where can I buy methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate?
You can request a quote for methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-hydroxy-6-(1H-indol-3-ylsulfanyl)-2-phenylpyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.