KN 3
TL;DR: KN 3 (CAS 39848-20-9) is a chemical compound with molecular formula C15H16N4O6 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-5-oxo-2H-pyran-4-yl] acetate
Also Known As: KN 3, 4-HYDROXY-5-METHOXYQUINOLINE, N5,N5-Dimethylpyridine-2,5-diamine, 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-(acetyloxy)-3,6-dihydro-6-methyl-3-oxo-2H-pyran-2-yl)-1,3-dimethyl-, (2S-cis)-, 7-(3'-O-Acetyl 4',6'-dideoxy-beta-L-glycero-hex-3'-enopyranosulosyl)theophylline
| Molecular Formula | C15H16N4O6 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.107 |
| Heavy Atoms | 25 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 39848-20-9 |
|---|---|
| SMILES | C[C@H]1C=C(C(=O)[C@H](O1)N2C=NC3=C2C(=O)N(C(=O)N3C)C)OC(=O)C |
| InChIKey | WQGGKSUUUHJGPM-WJWGPLDTSA-N |
Product Overview
KN 3 (CAS 39848-20-9), with molecular formula C15H16N4O6 and molecular weight 348.11 g/mol. IUPAC: [(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methyl-5-oxo-2H-pyran-4-yl] acetate.
Chemical Property Profile of KN 3
Property Insights of KN 3
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KN 3. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KN 3. Following Lipinski's Rule of Five, KN 3 has 0 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 KN 3?
The CAS number of KN 3 is 39848-20-9.
What is the molecular formula of KN 3?
The molecular formula of KN 3 is C15H16N4O6.
What is the molecular weight of KN 3?
The molecular weight of KN 3 is 348.11 g/mol.
Where can I buy KN 3?
You can request a quote for KN 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KN 3?
Yes, KEHONG BIO provides custom synthesis services for KN 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.