Modified fad
TL;DR: Modified fad (CAS 138663-53-3) is a chemical compound with molecular formula C27H33N9O15P2 and molecular weight 785.16 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] [(2S,3R,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
Also Known As: Modified fad, mFAD, Flavin-adenine dinucleotide, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate, Adenosine 5'-(trihydrogen diphosphate), P'-5-ester with 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-L-arabinitol
| Molecular Formula | C27H33N9O15P2 |
|---|---|
| Molecular Weight | 785.16 g/mol |
| LogP | -2.42396 |
| Topological Polar Surface Area | 362.93 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 13 |
| Exact Mass | 785.15717 |
| Heavy Atoms | 53 |
| Complexity | 2354.7322 |
Chemical Identifiers
| CAS Number | 138663-53-3 |
|---|---|
| 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)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O |
Product Overview
Modified fad (CAS 138663-53-3), with molecular formula C27H33N9O15P2 and molecular weight 785.16 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate.
Chemical Property Profile of Modified fad
Property Insights of Modified fad
The XLogP value of -2.42396 indicates that Modified fad is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 362.93 Ų indicates high polarity, suggesting Modified fad may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Modified fad 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 Modified fad?
The CAS number of Modified fad is 138663-53-3.
What is the molecular formula of Modified fad?
The molecular formula of Modified fad is C27H33N9O15P2.
What is the molecular weight of Modified fad?
The molecular weight of Modified fad is 785.16 g/mol.
Where can I buy Modified fad?
You can request a quote for Modified fad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Modified fad?
Yes, KEHONG BIO provides custom synthesis services for Modified fad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.