Hydroxymethylflavin
TL;DR: Hydroxymethylflavin (CAS 35847-78-0) is a chemical compound with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)methyl acetate
Also Known As: Hydroxymethylflavin, (7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)methyl acetate, (7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)methyl acetate, Benzo(g)pteridine-2,4(3H,10H)-dione, 10-((acetyloxy)methyl)-7,8-dimethyl-, Benzo[g]pteridine-2,4(3H,10H)-dione,10-[(acetyloxy)methyl]-7,8-dimethyl-
| Molecular Formula | C15H14N4O4 |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1015 |
| Heavy Atoms | 23 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 35847-78-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)COC(=O)C |
| InChIKey | KEDBIZKNSLJORX-UHFFFAOYSA-N |
Product Overview
Hydroxymethylflavin (CAS 35847-78-0), with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol. IUPAC: (7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)methyl acetate.
Chemical Property Profile of Hydroxymethylflavin
Property Insights of Hydroxymethylflavin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxymethylflavin. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxymethylflavin. Following Lipinski's Rule of Five, Hydroxymethylflavin has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydroxymethylflavin?
The CAS number of Hydroxymethylflavin is 35847-78-0.
What is the molecular formula of Hydroxymethylflavin?
The molecular formula of Hydroxymethylflavin is C15H14N4O4.
What is the molecular weight of Hydroxymethylflavin?
The molecular weight of Hydroxymethylflavin is 314.10 g/mol.
Where can I buy Hydroxymethylflavin?
You can request a quote for Hydroxymethylflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxymethylflavin?
Yes, KEHONG BIO provides custom synthesis services for Hydroxymethylflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.