![7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol structure](/static/products/865/865546-44-7.png)
7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol
TL;DR: 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol (CAS 865546-44-7) is a chemical compound with molecular formula C18H12FN3S and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione
Also Known As: 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol, 7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine-4-thiol, 7-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione, 9-(4-fluorophenyl)-7-phenyl-2,4,9-triazabicyclo[4.3.0]nona-3,7,10-triene-5-thione, REGID_for_CID_2049442
| Molecular Formula | C18H12FN3S |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 4.88919 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.0736 |
| Heavy Atoms | 23 |
| Complexity | 1033.5006 |
Chemical Identifiers
| CAS Number | 865546-44-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN(C3=C2C(=S)N=CN3)C4=CC=C(C=C4)F |
Product Overview
7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol (CAS 865546-44-7), with molecular formula C18H12FN3S and molecular weight 321.07 g/mol. IUPAC: 7-(4-fluorophenyl)-5-phenyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione.
Chemical Property Profile of 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol
Property Insights of 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol
The XLogP value of 4.88919 indicates that 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol has 1 hydrogen bond donor(s) and 2 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 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol?
The CAS number of 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol is 865546-44-7.
What is the molecular formula of 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol?
The molecular formula of 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol is C18H12FN3S.
What is the molecular weight of 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol?
The molecular weight of 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol is 321.07 g/mol.
Where can I buy 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol?
You can request a quote for 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.