4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin
TL;DR: 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin (CAS 112076-30-9) is a chemical compound with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,9,12,16-tetramethyl-2-oxa-5,12,14,16-tetrazatetracyclo[11.4.0.01,5.06,11]heptadeca-6(11),7,9,13-tetraene-15,17-dione
Also Known As: Emmdh-flavin, 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin, 5,8,10,11-tetramethyl-1,2-dihydrobenzo[g][1,3]oxazolo[2,3-e]pteridine-4,6(5h,8h)-dione, Benz[g]oxazolo[2,3-e]pteridine-4,6(5H,8H)-dione,1,2-dihydro-5,8,10,11-tetramethyl-, (S)- (9CI), 8,9,12,16-tetramethyl-2-oxa-5,12,14,16-tetrazatetracyclo[11.4.0.01,5.06,11]heptadeca-6(11),7,9,13-tetraene-15,17-dione
| Molecular Formula | C16H18N4O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.13788 |
| Heavy Atoms | 23 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 112076-30-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N3CCOC34C(=NC(=O)N(C4=O)C)N2C |
| InChIKey | IDDNVOFTRGCBDX-UHFFFAOYSA-N |
Product Overview
4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin (CAS 112076-30-9), with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol. IUPAC: 8,9,12,16-tetramethyl-2-oxa-5,12,14,16-tetrazatetracyclo[11.4.0.01,5.06,11]heptadeca-6(11),7,9,13-tetraene-15,17-dione.
Chemical Property Profile of 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin
Property Insights of 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin. Following Lipinski's Rule of Five, 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin has 0 hydrogen bond donor(s) and 4 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 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin?
The CAS number of 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin is 112076-30-9.
What is the molecular formula of 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin?
The molecular formula of 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin is C16H18N4O3.
What is the molecular weight of 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin?
The molecular weight of 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin is 314.14 g/mol.
Where can I buy 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin?
You can request a quote for 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin?
Yes, KEHONG BIO provides custom synthesis services for 4a,5-Epoxyethano-3-methyl-4a,5-dihydrolumiflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.