9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine
TL;DR: 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine (CAS 93615-52-2) is a chemical compound with molecular formula C10H12FN5O2 and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-fluorooxolan-2-yl]methanol
Also Known As: 3'-FddAdo, 2',3'-dideoxy-3'-fluoroadenosine, 3'-FddA (beta-D-Erythro), 3'-fluoro-2',3'-dideoxyadenosine, 3'-FddA (*.beta.-D-Erythro*)
| Molecular Formula | C10H12FN5O2 |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.0975 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 93615-52-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)F |
| InChIKey | CTDUJDNZPPZTAV-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine (CAS 93615-52-2), with molecular formula C10H12FN5O2 and molecular weight 253.10 g/mol. IUPAC: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-fluorooxolan-2-yl]methanol.
Chemical Property Profile of 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine
Property Insights of 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine. Following Lipinski's Rule of Five, 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine has 2 hydrogen bond donor(s) and 7 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 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine?
The CAS number of 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine is 93615-52-2.
What is the molecular formula of 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine?
The molecular formula of 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine is C10H12FN5O2.
What is the molecular weight of 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine?
The molecular weight of 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine is 253.10 g/mol.
Where can I buy 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine?
You can request a quote for 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-Fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.