Carboxyethyllumazine
TL;DR: Carboxyethyllumazine (CAS 34698-71-0) is a chemical compound with molecular formula C14H18N4O9 and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pteridin-6-yl]propanoic acid
Also Known As: Putidolumazine, CARBOXYETHYLLUMAZINE, KST-1B3400, 6-Carboxyethyl-7-oxo-8-D-ribityllumazine, 6-Carboxyethyl-7-oxo-8-ribityllumazine
| Molecular Formula | C14H18N4O9 |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 386.1074 |
| Heavy Atoms | 27 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 34698-71-0 |
|---|---|
| SMILES | C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O |
| InChIKey | PTYCEIBBGGLADD-PJKMHFRUSA-N |
Product Overview
Carboxyethyllumazine (CAS 34698-71-0), with molecular formula C14H18N4O9 and molecular weight 386.11 g/mol. IUPAC: 3-[2,4,7-trioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pteridin-6-yl]propanoic acid.
Chemical Property Profile of Carboxyethyllumazine
Property Insights of Carboxyethyllumazine
The XLogP value of -4.7 indicates that Carboxyethyllumazine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting Carboxyethyllumazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carboxyethyllumazine has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carboxyethyllumazine?
The CAS number of Carboxyethyllumazine is 34698-71-0.
What is the molecular formula of Carboxyethyllumazine?
The molecular formula of Carboxyethyllumazine is C14H18N4O9.
What is the molecular weight of Carboxyethyllumazine?
The molecular weight of Carboxyethyllumazine is 386.11 g/mol.
Where can I buy Carboxyethyllumazine?
You can request a quote for Carboxyethyllumazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carboxyethyllumazine?
Yes, KEHONG BIO provides custom synthesis services for Carboxyethyllumazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.