2-Thio-fmn
TL;DR: 2-Thio-fmn (CAS 28979-30-8) is a chemical compound with molecular formula C17H21N4O8PS and molecular weight 472.08 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-4-oxo-2-sulfanylidenebenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
Also Known As: 2-Thio-fmn, 2-Thioriboflavine 5'-monophosphate, 2-Thioflavin mononucleotide, Riboflavin 5'-(dihydrogen phosphate), 2-thio-, 2-Thioxo-2-deoxoriboflavin 5 -phosphoric acid
| Molecular Formula | C17H21N4O8PS |
|---|---|
| Molecular Weight | 472.08 g/mol |
| LogP | -0.23727 |
| Topological Polar Surface Area | 191.02 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.08176 |
| Heavy Atoms | 31 |
| Complexity | 1255.2709 |
Chemical Identifiers
| CAS Number | 28979-30-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=S)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O |
Product Overview
2-Thio-fmn (CAS 28979-30-8), with molecular formula C17H21N4O8PS and molecular weight 472.08 g/mol. IUPAC: [(2R,3S,4S)-5-(7,8-dimethyl-4-oxo-2-sulfanylidenebenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate.
Chemical Property Profile of 2-Thio-fmn
Property Insights of 2-Thio-fmn
The XLogP value of -0.23727 indicates that 2-Thio-fmn is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.02 Ų indicates high polarity, suggesting 2-Thio-fmn may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Thio-fmn has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Thio-fmn?
The CAS number of 2-Thio-fmn is 28979-30-8.
What is the molecular formula of 2-Thio-fmn?
The molecular formula of 2-Thio-fmn is C17H21N4O8PS.
What is the molecular weight of 2-Thio-fmn?
The molecular weight of 2-Thio-fmn is 472.08 g/mol.
Where can I buy 2-Thio-fmn?
You can request a quote for 2-Thio-fmn directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thio-fmn?
Yes, KEHONG BIO provides custom synthesis services for 2-Thio-fmn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.