Gadenine
TL;DR: Gadenine (CAS 89384-03-2) is a chemical compound with molecular formula C30H41NO8 and molecular weight 543.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-ethyl-2,8,9,16-tetrahydroxy-6,18-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) benzoate
Also Known As: GADENINE, 20-Ethyl-1,7,8,10-tetrahydroxy-6,16-dimethoxy-4-methylaconitan-14-yl benzoate, (11-ethyl-2,8,9,16-tetrahydroxy-6,18-dimethoxy-13-methyl-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecan-4-yl) benzoate, (11-ethyl-2,8,9,16-tetrahydroxy-6,18-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) benzoate, (1R,2R,3R,4S,5S,6R,8S,9S,10S,13R,16S,17R,18R)-11-Ethyl-2,8,9,16-tetrahydroxy-6,18-dimethoxy-13-methyl-11-azahexacyclo(7.7.2.1,.0,.0,.0,)nonadecan-4-yl benzoic acid
| Molecular Formula | C30H41NO8 |
|---|---|
| Molecular Weight | 543.28 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.2832 |
| Heavy Atoms | 39 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 89384-03-2 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4(C5C6OC(=O)C7=CC=CC=C7)O)OC)O)O)OC)O)C |
| InChIKey | AERFHMRAWNYRFJ-UHFFFAOYSA-N |
Product Overview
Gadenine (CAS 89384-03-2), with molecular formula C30H41NO8 and molecular weight 543.28 g/mol. IUPAC: (11-ethyl-2,8,9,16-tetrahydroxy-6,18-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) benzoate.
Chemical Property Profile of Gadenine
Property Insights of Gadenine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gadenine. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gadenine. Following Lipinski's Rule of Five, Gadenine has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gadenine?
The CAS number of Gadenine is 89384-03-2.
What is the molecular formula of Gadenine?
The molecular formula of Gadenine is C30H41NO8.
What is the molecular weight of Gadenine?
The molecular weight of Gadenine is 543.28 g/mol.
Where can I buy Gadenine?
You can request a quote for Gadenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadenine?
Yes, KEHONG BIO provides custom synthesis services for Gadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.