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Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide
TL;DR: Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide (CAS 338967-52-5) is a chemical compound with molecular formula C16H19N3S and molecular weight 285.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylsulfanylmethyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine
Also Known As: methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide, 4-[(methylsulfanyl)methyl]-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine, 4-(methylsulfanylmethyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine, 4-(methylsulfanylmethyl)-2-phenyl-6-pyrrolidin-1-yl-pyrimidine
| Molecular Formula | C16H19N3S |
|---|---|
| Molecular Weight | 285.13 g/mol |
| LogP | 3.6068 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.12997 |
| Heavy Atoms | 20 |
| Complexity | 565.1896 |
Chemical Identifiers
| CAS Number | 338967-52-5 |
|---|---|
| SMILES | CSCC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCCC3 |
Product Overview
Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide (CAS 338967-52-5), with molecular formula C16H19N3S and molecular weight 285.13 g/mol. IUPAC: 4-(methylsulfanylmethyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine.
Chemical Property Profile of Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide
Property Insights of Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide
The XLogP value of 3.6068 indicates that Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide has 0 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 Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide?
The CAS number of Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide is 338967-52-5.
What is the molecular formula of Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide?
The molecular formula of Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide is C16H19N3S.
What is the molecular weight of Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide?
The molecular weight of Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide is 285.13 g/mol.
Where can I buy Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide?
You can request a quote for Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.