10-(Carboxyethyl)flavin
TL;DR: 10-(Carboxyethyl)flavin (CAS 20781-13-9) 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.
3-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)propanoic acid
Also Known As: 10-(Carboxyethyl)flavin, Carboxyethylflavine, 3-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)propanoic acid, Benzo(g)pteridine-10(2H)-propanoic acid, 3,4-dihydro-7,8-dimethyl-2,4-dioxo-, 3-(7,8-Dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)propanoic acid
| Molecular Formula | C15H14N4O4 |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 0.67614 |
| Topological Polar Surface Area | 117.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1015 |
| Heavy Atoms | 23 |
| Complexity | 1018.4335 |
Chemical Identifiers
| CAS Number | 20781-13-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CCC(=O)O |
Product Overview
10-(Carboxyethyl)flavin (CAS 20781-13-9), with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol. IUPAC: 3-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)propanoic acid.
Chemical Property Profile of 10-(Carboxyethyl)flavin
Property Insights of 10-(Carboxyethyl)flavin
The XLogP value of 0.67614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-(Carboxyethyl)flavin. The TPSA of 117.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(Carboxyethyl)flavin. Following Lipinski's Rule of Five, 10-(Carboxyethyl)flavin has 2 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 10-(Carboxyethyl)flavin?
The CAS number of 10-(Carboxyethyl)flavin is 20781-13-9.
What is the molecular formula of 10-(Carboxyethyl)flavin?
The molecular formula of 10-(Carboxyethyl)flavin is C15H14N4O4.
What is the molecular weight of 10-(Carboxyethyl)flavin?
The molecular weight of 10-(Carboxyethyl)flavin is 314.10 g/mol.
Where can I buy 10-(Carboxyethyl)flavin?
You can request a quote for 10-(Carboxyethyl)flavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(Carboxyethyl)flavin?
Yes, KEHONG BIO provides custom synthesis services for 10-(Carboxyethyl)flavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.