Eucebral-N
TL;DR: Eucebral-N (CAS 90980-03-3) is a chemical compound with molecular formula C26H36N4O6 and molecular weight 500.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione;(3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetate
Also Known As: Eucebral-N, 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione;(3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetate, benzeneacetic acid,, A-hydroxy-, 3,3,5-trimethylcyclohexyl ester, mixt. with 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1h-purine-2,6-dione, Benzeneacetic acid, alpha-hydroxy-, 3,3,5-trimethylcyclohexyl ester, mixt. with 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione
| Molecular Formula | C26H36N4O6 |
|---|---|
| Molecular Weight | 500.26 g/mol |
| LogP | 1.904 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.2635 |
| Heavy Atoms | 36 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 90980-03-3 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)O.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO |
| InChIKey | XWJRBYJNVOQFOC-UHFFFAOYSA-N |
Product Overview
Eucebral-N (CAS 90980-03-3), with molecular formula C26H36N4O6 and molecular weight 500.26 g/mol. IUPAC: 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione;(3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetate.
Chemical Property Profile of Eucebral-N
Property Insights of Eucebral-N
The XLogP value of 1.904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eucebral-N. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Eucebral-N. Following Lipinski's Rule of Five, Eucebral-N has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eucebral-N?
The CAS number of Eucebral-N is 90980-03-3.
What is the molecular formula of Eucebral-N?
The molecular formula of Eucebral-N is C26H36N4O6.
What is the molecular weight of Eucebral-N?
The molecular weight of Eucebral-N is 500.26 g/mol.
Where can I buy Eucebral-N?
You can request a quote for Eucebral-N directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eucebral-N?
Yes, KEHONG BIO provides custom synthesis services for Eucebral-N and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.