![7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine structure](/static/products/6228/6228-36-0.webp)
7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine
TL;DR: 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine (CAS 6228-36-0) is a chemical compound with molecular formula C21H18FN3S and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-fluorophenyl)-5-phenyl-4-propan-2-ylsulfanylpyrrolo[2,3-d]pyrimidine
Also Known As: VU0072777-1, 7-(3-fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine, 7-(3-fluorophenyl)-5-phenyl-4-(propan-2-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine, 7-(3-fluorophenyl)-5-phenyl-4-propan-2-ylsulfanylpyrrolo[2,3-d]pyrimidine, 7-(3-Fluorophenyl)-5-phenyl-4-[(propan-2-yl)sulfanyl]-7H-pyrrolo[2,3-d]pyrimidine
| Molecular Formula | C21H18FN3S |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 5.7271 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.12054 |
| Heavy Atoms | 26 |
| Complexity | 1057.495 |
Chemical Identifiers
| CAS Number | 6228-36-0 |
|---|---|
| SMILES | CC(C)SC1=NC=NC2=C1C(=CN2C3=CC(=CC=C3)F)C4=CC=CC=C4 |
Product Overview
7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine (CAS 6228-36-0), with molecular formula C21H18FN3S and molecular weight 363.12 g/mol. IUPAC: 7-(3-fluorophenyl)-5-phenyl-4-propan-2-ylsulfanylpyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine
Property Insights of 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine
The XLogP value of 5.7271 indicates that 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine?
The CAS number of 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine is 6228-36-0.
What is the molecular formula of 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine?
The molecular formula of 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine is C21H18FN3S.
What is the molecular weight of 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine?
The molecular weight of 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine is 363.12 g/mol.
Where can I buy 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine?
You can request a quote for 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-Fluorophenyl)-4-(methylethylthio)-5-phenylpyrrolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.