1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-
TL;DR: 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)- (CAS 149819-72-7) is a chemical compound with molecular formula C9H10FN5O2S and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5S)-5-(6-amino-2-fluoropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Also Known As: Oxathiolan 2FPur-.a., Oxathiolan, 2FA-(-)-alpha, Oxathiolan, 2FA-(-).a., 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-, (-)-(2S,5S)-2-Fluoro-6-amino-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purine
| Molecular Formula | C9H10FN5O2S |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.05392 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 149819-72-7 |
|---|---|
| SMILES | C1[C@H](O[C@@H](S1)CO)N2C=NC3=C(N=C(N=C32)F)N |
| InChIKey | FHYHYXRPVWILHN-WHFBIAKZSA-N |
Product Overview
1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)- (CAS 149819-72-7), with molecular formula C9H10FN5O2S and molecular weight 271.05 g/mol. IUPAC: [(2S,5S)-5-(6-amino-2-fluoropurin-9-yl)-1,3-oxathiolan-2-yl]methanol.
Chemical Property Profile of 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-
Property Insights of 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-. Following Lipinski's Rule of Five, 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)- has 2 hydrogen bond donor(s) and 8 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 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-?
The CAS number of 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)- is 149819-72-7.
What is the molecular formula of 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-?
The molecular formula of 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)- is C9H10FN5O2S.
What is the molecular weight of 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-?
The molecular weight of 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)- is 271.05 g/mol.
Where can I buy 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-?
You can request a quote for 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2S-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.