6-Ethoxy Abacavir
TL;DR: 6-Ethoxy Abacavir (CAS 2211067-08-0) is a chemical compound with molecular formula C13H17N5O2 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4R)-4-(2-amino-6-ethoxypurin-9-yl)cyclopent-2-en-1-yl]methanol
Also Known As: 6-Ethoxy Abacavir, Abacavir Ethanolate Impurity, (+/-)-cis-4-(2-Amino-6-ethoxy-9H-purin-9-yl)-2-cyclopentene-1-methanol, [(1s,4r)-4-(2-amino-6-ethoxy-purin-9-yl)-1-cyclopent-2-enyl]methanol, [(1S,4R)-4-(2-amino-6-ethoxy-purin-9-yl)cyclopent-2-en-1-yl]methanol
| Molecular Formula | C13H17N5O2 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.1382 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 2211067-08-0 |
|---|---|
| SMILES | CCOC1=NC(=NC2=C1N=CN2[C@@H]3C[C@@H](C=C3)CO)N |
| InChIKey | ZLKMRESXTDSDID-BDAKNGLRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Ethoxy Abacavir (CAS 2211067-08-0), with molecular formula C13H17N5O2 and molecular weight 275.14 g/mol. IUPAC: [(1S,4R)-4-(2-amino-6-ethoxypurin-9-yl)cyclopent-2-en-1-yl]methanol.
Chemical Property Profile of 6-Ethoxy Abacavir
Property Insights of 6-Ethoxy Abacavir
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethoxy Abacavir. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Ethoxy Abacavir. Following Lipinski's Rule of Five, 6-Ethoxy Abacavir has 2 hydrogen bond donor(s) and 6 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-Ethoxy Abacavir?
The CAS number of 6-Ethoxy Abacavir is 2211067-08-0.
What is the molecular formula of 6-Ethoxy Abacavir?
The molecular formula of 6-Ethoxy Abacavir is C13H17N5O2.
What is the molecular weight of 6-Ethoxy Abacavir?
The molecular weight of 6-Ethoxy Abacavir is 275.14 g/mol.
Where can I buy 6-Ethoxy Abacavir?
You can request a quote for 6-Ethoxy Abacavir directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethoxy Abacavir?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethoxy Abacavir and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.