1-Deaza-fmn
TL;DR: 1-Deaza-fmn (CAS 91061-90-4) is a chemical compound with molecular formula C18H22N3O9P and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S)-5-(7,8-dimethyl-1,3-dioxopyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
Also Known As: 1-Deaza-fmn, 1-Deaza-1-carba-fmn, 1-Deazaflavin mononucleotide, [(2R,3S,4S)-5-(7,8-dimethyl-1,3-dioxopyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate, 1-deoxy-1-(7,8-dimethyl-1,3-dioxo-2,3-dihydropyrido[3,4-b]quinoxalin-5(1h)-yl)-5-o-phosphono-d-ribitol
| Molecular Formula | C18H22N3O9P |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.10938 |
| Heavy Atoms | 31 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 91061-90-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=CC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O |
| InChIKey | MKGMHXIELMAMOW-VBQJREDUSA-N |
Product Overview
1-Deaza-fmn (CAS 91061-90-4), with molecular formula C18H22N3O9P and molecular weight 455.11 g/mol. IUPAC: [(2R,3S,4S)-5-(7,8-dimethyl-1,3-dioxopyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate.
Chemical Property Profile of 1-Deaza-fmn
Property Insights of 1-Deaza-fmn
The XLogP value of -2.1 indicates that 1-Deaza-fmn is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting 1-Deaza-fmn may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Deaza-fmn has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Deaza-fmn?
The CAS number of 1-Deaza-fmn is 91061-90-4.
What is the molecular formula of 1-Deaza-fmn?
The molecular formula of 1-Deaza-fmn is C18H22N3O9P.
What is the molecular weight of 1-Deaza-fmn?
The molecular weight of 1-Deaza-fmn is 455.11 g/mol.
Where can I buy 1-Deaza-fmn?
You can request a quote for 1-Deaza-fmn directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Deaza-fmn?
Yes, KEHONG BIO provides custom synthesis services for 1-Deaza-fmn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.