flavin 1,N(6)-ethenoadenine dinucleotide
TL;DR: flavin 1,N(6)-ethenoadenine dinucleotide (CAS 38628-24-9) is a chemical compound with molecular formula C29H34ClN9O15P2 and molecular weight 845.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(1H-imidazo[2,1-f]purin-3-ium-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate chloride
Also Known As: Flavin 1,N(6)-ethenoadenine dinucleotide, Sid 771126, 2,2-dihydroxycyclopenta[b]naphthalene-1,3-dione, [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(1H-imidazo[2,1-f]purin-3-ium-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate;chloride, [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate chloride
| Molecular Formula | C29H34ClN9O15P2 |
|---|---|
| Molecular Weight | 845.13 g/mol |
| LogP | -5.33036 |
| Topological Polar Surface Area | 337.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 13 |
| Exact Mass | 845.1338 |
| Heavy Atoms | 56 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 38628-24-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CNC6=C5N=CN7C6=NC=C7)O)O)O)O)O.[Cl-] |
| InChIKey | JLWOWKGKKFQUID-ZBMPBUKJSA-N |
Product Overview
flavin 1,N(6)-ethenoadenine dinucleotide (CAS 38628-24-9), with molecular formula C29H34ClN9O15P2 and molecular weight 845.13 g/mol. IUPAC: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(1H-imidazo[2,1-f]purin-3-ium-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate chloride.
Chemical Property Profile of flavin 1,N(6)-ethenoadenine dinucleotide
Property Insights of flavin 1,N(6)-ethenoadenine dinucleotide
The XLogP value of -5.33036 indicates that flavin 1,N(6)-ethenoadenine dinucleotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 337.0 Ų indicates high polarity, suggesting flavin 1,N(6)-ethenoadenine dinucleotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, flavin 1,N(6)-ethenoadenine dinucleotide has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of flavin 1,N(6)-ethenoadenine dinucleotide?
The CAS number of flavin 1,N(6)-ethenoadenine dinucleotide is 38628-24-9.
What is the molecular formula of flavin 1,N(6)-ethenoadenine dinucleotide?
The molecular formula of flavin 1,N(6)-ethenoadenine dinucleotide is C29H34ClN9O15P2.
What is the molecular weight of flavin 1,N(6)-ethenoadenine dinucleotide?
The molecular weight of flavin 1,N(6)-ethenoadenine dinucleotide is 845.13 g/mol.
Where can I buy flavin 1,N(6)-ethenoadenine dinucleotide?
You can request a quote for flavin 1,N(6)-ethenoadenine dinucleotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for flavin 1,N(6)-ethenoadenine dinucleotide?
Yes, KEHONG BIO provides custom synthesis services for flavin 1,N(6)-ethenoadenine dinucleotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.