7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex
TL;DR: 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex (CAS 78093-77-3) is a chemical compound with molecular formula C21H38N10O11 and molecular weight 606.27 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-1,9a-dihydrobenzo[g]pteridin-10-yl)acetic acid;9-N-ethylpurine-6,9-diamine;heptahydrate
Also Known As: Dia-aea, 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex, 2-(7,8-dimethyl-2,4-dioxo-1,9a-dihydrobenzo[g]pteridin-10-yl)acetic acid;9-N-ethylpurine-6,9-diamine;heptahydrate, Benzo(g)pteridine-10(2H)-acetic acid, 1,3,4,9a-tetrahydro-7,8-dimethyl-2,4-dioxo-, compd. with N9-ethyl-9H-purine-6,9-diamine, tetrahydrate, (2,4-Dihydroxy-7,8-dimethylbenzo[g]pteridin-10(9aH)-yl)acetic acid--N~9~-ethyl-9H-purine-6,9-diamine--water (1/1/7)
| Molecular Formula | C21H38N10O11 |
|---|---|
| Molecular Weight | 606.27 g/mol |
| LogP | -5.4859 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 4 |
| Exact Mass | 606.27216 |
| Heavy Atoms | 42 |
| Complexity | 903.0 |
Chemical Identifiers
| CAS Number | 78093-77-3 |
|---|---|
| SMILES | CCNN1C=NC2=C(N=CN=C21)N.CC1=CC2C(=NC3=C(N2CC(=O)O)NC(=O)NC3=O)C=C1C.O.O.O.O.O.O.O |
| InChIKey | YJGCYCWZAMSUSY-UHFFFAOYSA-N |
Product Overview
7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex (CAS 78093-77-3), with molecular formula C21H38N10O11 and molecular weight 606.27 g/mol. IUPAC: 2-(7,8-dimethyl-2,4-dioxo-1,9a-dihydrobenzo[g]pteridin-10-yl)acetic acid;9-N-ethylpurine-6,9-diamine;heptahydrate.
Chemical Property Profile of 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex
Property Insights of 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex
The XLogP value of -5.4859 indicates that 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex has 12 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex?
The CAS number of 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex is 78093-77-3.
What is the molecular formula of 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex?
The molecular formula of 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex is C21H38N10O11.
What is the molecular weight of 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex?
The molecular weight of 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex is 606.27 g/mol.
Where can I buy 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex?
You can request a quote for 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.