![6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine structure](/static/products/4780/478067-83-3.webp)
6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine
TL;DR: 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine (CAS 478067-83-3) is a chemical compound with molecular formula C9H7F3N4S and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4,4-trifluorobut-3-enylsulfanyl)-7H-purine
Also Known As: 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine, 6-(3,4,4-trifluorobut-3-enylsulfanyl)-7H-purine, 6-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-9H-purine, 7N-762
| Molecular Formula | C9H7F3N4S |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 2.9127 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.03436 |
| Heavy Atoms | 17 |
| Complexity | 549.9195 |
Chemical Identifiers
| CAS Number | 478067-83-3 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)SCCC(=C(F)F)F |
Product Overview
6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine (CAS 478067-83-3), with molecular formula C9H7F3N4S and molecular weight 260.03 g/mol. IUPAC: 6-(3,4,4-trifluorobut-3-enylsulfanyl)-7H-purine.
Chemical Property Profile of 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine
Property Insights of 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine
The XLogP value of 2.9127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine. With a topological polar surface area (TPSA) of 54.46 Ų, 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine has 1 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 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine?
The CAS number of 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine is 478067-83-3.
What is the molecular formula of 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine?
The molecular formula of 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine is C9H7F3N4S.
What is the molecular weight of 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine?
The molecular weight of 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine is 260.03 g/mol.
Where can I buy 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine?
You can request a quote for 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.