3-Carboxymethylriboflavin
TL;DR: 3-Carboxymethylriboflavin (CAS 3437-71-6) is a chemical compound with molecular formula C19H22N4O8 and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid
Also Known As: 3-Carboxymethylriboflavin, 3-(Carboxymethyl)riboflavin, KST-1B3377, 1-[3-(carboxymethyl)-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl]-1-deoxy-d-ribitol, 2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid
| Molecular Formula | C19H22N4O8 |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.14377 |
| Heavy Atoms | 31 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 3437-71-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)N(C(=O)C3=N2)CC(=O)O)C[C@@H]([C@@H]([C@@H](CO)O)O)O |
| InChIKey | YFKSNCIPAHACKJ-ZENOOKHLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Carboxymethylriboflavin (CAS 3437-71-6), with molecular formula C19H22N4O8 and molecular weight 434.14 g/mol. IUPAC: 2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid.
Chemical Property Profile of 3-Carboxymethylriboflavin
Property Insights of 3-Carboxymethylriboflavin
The XLogP value of -1.7 indicates that 3-Carboxymethylriboflavin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting 3-Carboxymethylriboflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Carboxymethylriboflavin has 5 hydrogen bond donor(s) and 9 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 3-Carboxymethylriboflavin?
The CAS number of 3-Carboxymethylriboflavin is 3437-71-6.
What is the molecular formula of 3-Carboxymethylriboflavin?
The molecular formula of 3-Carboxymethylriboflavin is C19H22N4O8.
What is the molecular weight of 3-Carboxymethylriboflavin?
The molecular weight of 3-Carboxymethylriboflavin is 434.14 g/mol.
Where can I buy 3-Carboxymethylriboflavin?
You can request a quote for 3-Carboxymethylriboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxymethylriboflavin?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxymethylriboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.