1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol
TL;DR: 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol (CAS 866017-68-7) is a chemical compound with molecular formula C8H7F3N4OS and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-(7H-purin-6-ylsulfanyl)propan-2-ol
Also Known As: 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol, 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)propan-2-ol, 1,1,1-trifluoro-3-(7H-purin-6-ylsulfanyl)propan-2-ol, 4R-0654
| Molecular Formula | C8H7F3N4OS |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 1.3682 |
| Topological Polar Surface Area | 74.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.02927 |
| Heavy Atoms | 17 |
| Complexity | 514.68475 |
Chemical Identifiers
| CAS Number | 866017-68-7 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)SCC(C(F)(F)F)O |
Product Overview
1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol (CAS 866017-68-7), with molecular formula C8H7F3N4OS and molecular weight 264.03 g/mol. IUPAC: 1,1,1-trifluoro-3-(7H-purin-6-ylsulfanyl)propan-2-ol.
Chemical Property Profile of 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol
Property Insights of 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol
The XLogP value of 1.3682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol. The TPSA of 74.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol. Following Lipinski's Rule of Five, 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol has 2 hydrogen bond donor(s) and 5 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 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol?
The CAS number of 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol is 866017-68-7.
What is the molecular formula of 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol?
The molecular formula of 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol is C8H7F3N4OS.
What is the molecular weight of 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol?
The molecular weight of 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol is 264.03 g/mol.
Where can I buy 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol?
You can request a quote for 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.