5-Deazalumiflavin
TL;DR: 5-Deazalumiflavin (CAS 61696-29-5) is a chemical compound with molecular formula C14H13N3O2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione
Also Known As: 5-Deazalumiflavin, 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione, Pyrimido(4,5-b)quinoline-2,4(3H,10H)-dione, 7,8,10-trimethyl-, 7,8,10-Trimethylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 7,8,10-TRIMETHYL-2H,3H,4H,10H-PYRIMIDO[4,5-B]QUINOLINE-2,4-DIONE
| Molecular Formula | C14H13N3O2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 1.34344 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 255.10077 |
| Heavy Atoms | 19 |
| Complexity | 889.67737 |
Chemical Identifiers
| CAS Number | 61696-29-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=C2)C |
Product Overview
5-Deazalumiflavin (CAS 61696-29-5), with molecular formula C14H13N3O2 and molecular weight 255.10 g/mol. IUPAC: 7,8,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione.
Chemical Property Profile of 5-Deazalumiflavin
Property Insights of 5-Deazalumiflavin
The XLogP value of 1.34344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Deazalumiflavin. The TPSA of 67.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Deazalumiflavin. Following Lipinski's Rule of Five, 5-Deazalumiflavin has 1 hydrogen bond donor(s) and 3 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 5-Deazalumiflavin?
The CAS number of 5-Deazalumiflavin is 61696-29-5.
What is the molecular formula of 5-Deazalumiflavin?
The molecular formula of 5-Deazalumiflavin is C14H13N3O2.
What is the molecular weight of 5-Deazalumiflavin?
The molecular weight of 5-Deazalumiflavin is 255.10 g/mol.
Where can I buy 5-Deazalumiflavin?
You can request a quote for 5-Deazalumiflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Deazalumiflavin?
Yes, KEHONG BIO provides custom synthesis services for 5-Deazalumiflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.