三氟甲磺酸鋰
TL;DR: 三氟甲磺酸鋰 (CAS 33454-82-9) is a chemical compound with molecular formula C13H10ClN5O2 and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟甲磺酸鋰
6-chloro-9-[2-(4-nitrophenyl)ethyl]purine
Also Known As: 6-chloro-9-[2-(4-nitrophenyl)ethyl]-9h-purine, 6-chloro-9-[2-(4-nitrophenyl)ethyl]purine, 6-Chloro-9-(4-nitrophenethyl)-9H-purine
| Molecular Formula | C13H10ClN5O2 |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0523 |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 33454-82-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CCN2C=NC3=C2N=CN=C3Cl)[N+](=O)[O-] |
| InChIKey | DYODDZLYLWSZJE-UHFFFAOYSA-N |
Product Overview
三氟甲磺酸鋰 (CAS 33454-82-9), with molecular formula C13H10ClN5O2 and molecular weight 303.05 g/mol. IUPAC: 6-chloro-9-[2-(4-nitrophenyl)ethyl]purine.
Chemical Property Profile of 三氟甲磺酸鋰
Property Insights of 三氟甲磺酸鋰
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟甲磺酸鋰. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 三氟甲磺酸鋰. Following Lipinski's Rule of Five, 三氟甲磺酸鋰 has 0 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 三氟甲磺酸鋰?
The CAS number of 三氟甲磺酸鋰 is 33454-82-9.
What is the molecular formula of 三氟甲磺酸鋰?
The molecular formula of 三氟甲磺酸鋰 is C13H10ClN5O2.
What is the molecular weight of 三氟甲磺酸鋰?
The molecular weight of 三氟甲磺酸鋰 is 303.05 g/mol.
Where can I buy 三氟甲磺酸鋰?
You can request a quote for 三氟甲磺酸鋰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟甲磺酸鋰?
Yes, KEHONG BIO provides custom synthesis services for 三氟甲磺酸鋰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.