KN 35
TL;DR: KN 35 (CAS 85145-68-2) is a chemical compound with molecular formula C13H13BrN4O4 and molecular weight 368.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2S,6S)-4-bromo-2-methyl-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione
Also Known As: KN 35, 1H-Purine-2,6-dione, 9-(4-bromo-3,6-dihydro-6-methyl-3-oxo-2H-pyran-2-yl)-3,9-dihydro-1,3-dimethyl-, (2S-cis)-, 9-[(2S,6S)-4-bromo-2-methyl-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione, 9-[(2S,6S)-4-Bromo-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H13BrN4O4 |
|---|---|
| Molecular Weight | 368.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.01202 |
| Heavy Atoms | 22 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 85145-68-2 |
|---|---|
| SMILES | C[C@H]1C=C(C(=O)[C@H](O1)N2C=NC3=C2N(C(=O)N(C3=O)C)C)Br |
| InChIKey | YRHNWQFYEBZVGE-QTTZVWFDSA-N |
Product Overview
KN 35 (CAS 85145-68-2), with molecular formula C13H13BrN4O4 and molecular weight 368.01 g/mol. IUPAC: 9-[(2S,6S)-4-bromo-2-methyl-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of KN 35
Property Insights of KN 35
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KN 35. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for KN 35. Following Lipinski's Rule of Five, KN 35 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 KN 35?
The CAS number of KN 35 is 85145-68-2.
What is the molecular formula of KN 35?
The molecular formula of KN 35 is C13H13BrN4O4.
What is the molecular weight of KN 35?
The molecular weight of KN 35 is 368.01 g/mol.
Where can I buy KN 35?
You can request a quote for KN 35 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KN 35?
Yes, KEHONG BIO provides custom synthesis services for KN 35 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.