4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
TL;DR: 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide (CAS 339018-77-8) is a chemical compound with molecular formula C21H21N3S and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine
Also Known As: 7N-316S, 4-methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide, 4-(4-methylphenyl)sulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine, 4-[(4-methylphenyl)sulfanyl]-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine, 4-(4-methylphenyl)sulfanyl-2-phenyl-6-pyrrolidin-1-yl-pyrimidine
| Molecular Formula | C21H21N3S |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 5.20342 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.14563 |
| Heavy Atoms | 25 |
| Complexity | 840.77496 |
Chemical Identifiers
| CAS Number | 339018-77-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC(=NC(=C2)N3CCCC3)C4=CC=CC=C4 |
Product Overview
4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide (CAS 339018-77-8), with molecular formula C21H21N3S and molecular weight 347.15 g/mol. IUPAC: 4-(4-methylphenyl)sulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine.
Chemical Property Profile of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
Property Insights of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
The XLogP value of 5.20342 indicates that 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl 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, 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide?
The CAS number of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide is 339018-77-8.
What is the molecular formula of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide?
The molecular formula of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide is C21H21N3S.
What is the molecular weight of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide?
The molecular weight of 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide is 347.15 g/mol.
Where can I buy 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide?
You can request a quote for 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.