4a-Hydroxy-fad
TL;DR: 4a-Hydroxy-fad (CAS 3405-12-7) is a chemical compound with molecular formula C27H35N9O16P2 and molecular weight 803.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4S)-5-(4a-hydroxy-7,8-dimethyl-2,4-dioxo-5H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: 4a-Hydroxy-fad, KST-1A0043, [[(2R,3S,4S)-5-(4a-hydroxy-7,8-dimethyl-2,4-dioxo-5H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate, [(2r,3s,4r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl(2r,3s,4s)-2,3,4-trihydroxy-5-(4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl)pentyl dihydrogen diphosphate(non-preferred name)
| Molecular Formula | C27H35N9O16P2 |
|---|---|
| Molecular Weight | 803.17 g/mol |
| LogP | -5.7 |
| Topological Polar Surface Area | 376.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 13 |
| Exact Mass | 803.1677 |
| Heavy Atoms | 54 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 3405-12-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3(N2)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O |
| InChIKey | WTOYVZYXGAOYIM-DMXKTOCKSA-N |
Product Overview
4a-Hydroxy-fad (CAS 3405-12-7), with molecular formula C27H35N9O16P2 and molecular weight 803.17 g/mol. IUPAC: [[(2R,3S,4S)-5-(4a-hydroxy-7,8-dimethyl-2,4-dioxo-5H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of 4a-Hydroxy-fad
Property Insights of 4a-Hydroxy-fad
The XLogP value of -5.7 indicates that 4a-Hydroxy-fad is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 376.0 Ų indicates high polarity, suggesting 4a-Hydroxy-fad may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4a-Hydroxy-fad has 11 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4a-Hydroxy-fad?
The CAS number of 4a-Hydroxy-fad is 3405-12-7.
What is the molecular formula of 4a-Hydroxy-fad?
The molecular formula of 4a-Hydroxy-fad is C27H35N9O16P2.
What is the molecular weight of 4a-Hydroxy-fad?
The molecular weight of 4a-Hydroxy-fad is 803.17 g/mol.
Where can I buy 4a-Hydroxy-fad?
You can request a quote for 4a-Hydroxy-fad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-Hydroxy-fad?
Yes, KEHONG BIO provides custom synthesis services for 4a-Hydroxy-fad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.