3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol
TL;DR: 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol (CAS 86626-06-4) is a chemical compound with molecular formula C8H10FN5O2 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-amino-2-fluoropurin-9-yl)propane-1,2-diol
Also Known As: 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol, 3-(6-Amino-2-fluoro-9H-purin-9-yl)propane-1,2-diol, 9-[2,3-Dihydroxypropyl]-2-fluoroadenine, 3-(6-amino-2-fluoropurin-9-yl)propane-1,2-diol, 3-(6-amino-2-fluoro-purin-9-yl)propane-1,2-diol
| Molecular Formula | C8H10FN5O2 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.08185 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 86626-06-4 |
|---|---|
| SMILES | C1=NC2=C(N=C(N=C2N1CC(CO)O)F)N |
| InChIKey | NNSLNSQKMSZFJM-UHFFFAOYSA-N |
Product Overview
3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol (CAS 86626-06-4), with molecular formula C8H10FN5O2 and molecular weight 227.08 g/mol. IUPAC: 3-(6-amino-2-fluoropurin-9-yl)propane-1,2-diol.
Chemical Property Profile of 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol
Property Insights of 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol
The XLogP value of -1.2 indicates that 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol. Following Lipinski's Rule of Five, 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol has 3 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 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol?
The CAS number of 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol is 86626-06-4.
What is the molecular formula of 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol?
The molecular formula of 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol is C8H10FN5O2.
What is the molecular weight of 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol?
The molecular weight of 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol is 227.08 g/mol.
Where can I buy 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol?
You can request a quote for 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Amino-2-fluoro-9H-purin-9-yl)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.