diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate
TL;DR: diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate (CAS 6962-33-0) is a chemical compound with molecular formula C14H18N6O5 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate
Also Known As: diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate, Diethyl 2-(2,4-diamino-7-oxo-7,8-dihydropteridin-6-yl)butanedioate
| Molecular Formula | C14H18N6O5 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | -0.5226 |
| Topological Polar Surface Area | 176.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.13388 |
| Heavy Atoms | 25 |
| Complexity | 864.64655 |
Chemical Identifiers
| CAS Number | 6962-33-0 |
|---|---|
| SMILES | CCOC(=O)CC(C1=NC2=C(N=C(N=C2NC1=O)N)N)C(=O)OCC |
Product Overview
diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate (CAS 6962-33-0), with molecular formula C14H18N6O5 and molecular weight 350.13 g/mol. IUPAC: diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate.
Chemical Property Profile of diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate
Property Insights of diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate
The XLogP value of -0.5226 indicates that diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.17 Ų indicates high polarity, suggesting diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate has 3 hydrogen bond donor(s) and 10 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 diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate?
The CAS number of diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate is 6962-33-0.
What is the molecular formula of diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate?
The molecular formula of diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate is C14H18N6O5.
What is the molecular weight of diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate?
The molecular weight of diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate is 350.13 g/mol.
Where can I buy diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate?
You can request a quote for diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.