8-Chloro-fad
TL;DR: 8-Chloro-fad (CAS 68385-36-4) is a chemical compound with molecular formula C26H30ClN9O15P2 and molecular weight 805.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(8-chloro-7-methyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
Also Known As: 8-Chloro-fad, 8-ChloroFAD, 8-Nor-8-chloroFAD, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(8-chloro-7-methyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate, (8-Chloro-8-demethylriboflavin-5 -phosphoric acid)(5 -adenylic acid)anhydride
| Molecular Formula | C26H30ClN9O15P2 |
|---|---|
| Molecular Weight | 805.10 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 356.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Exact Mass | 805.10254 |
| Heavy Atoms | 53 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 68385-36-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)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)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O |
| InChIKey | WAJIYEWYQUYXST-FFEKMDIOSA-N |
Product Overview
8-Chloro-fad (CAS 68385-36-4), with molecular formula C26H30ClN9O15P2 and molecular weight 805.10 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(8-chloro-7-methyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate.
Chemical Property Profile of 8-Chloro-fad
Property Insights of 8-Chloro-fad
The XLogP value of -4.7 indicates that 8-Chloro-fad is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 356.0 Ų indicates high polarity, suggesting 8-Chloro-fad may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Chloro-fad has 9 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Chloro-fad?
The CAS number of 8-Chloro-fad is 68385-36-4.
What is the molecular formula of 8-Chloro-fad?
The molecular formula of 8-Chloro-fad is C26H30ClN9O15P2.
What is the molecular weight of 8-Chloro-fad?
The molecular weight of 8-Chloro-fad is 805.10 g/mol.
Where can I buy 8-Chloro-fad?
You can request a quote for 8-Chloro-fad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-fad?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-fad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.