Gadesine
TL;DR: Gadesine (CAS 70420-60-9) is a chemical compound with molecular formula C23H35NO6 and molecular weight 421.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-12,16-dimethoxy-10-methyl-6-oxa-4-azaheptacyclo[15.2.1.02,7.02,11.03,13.05,10.014,19]icosane-13,14,18-triol
Also Known As: GADESINE, OC12C(OC)C3C4(C)CCC5OC4N(CC)C1C35C6CC7C(O)C6C2(O)CC7OC, 4-ethyl-12,16-dimethoxy-10-methyl-6-oxa-4-azaheptacyclo(15.2.1.02,7.02,11.03,13.05,10.014,19)icosane-13,14,18-triol, 4-Ethyl-12,16-dimethoxy-10-methyl-6-oxa-4-azaheptacyclo[15.2.1.0~2,7~.0~2,11~.0~3,13~.0~5,10~.0~14,19~]icosane-13,14,18-triol, 4-ethyl-12,16-dimethoxy-10-methyl-6-oxa-4-azaheptacyclo[15.2.1.02,7.02,11.03,13.05,10.014,19]icosane-13,14,18-triol
| Molecular Formula | C23H35NO6 |
|---|---|
| Molecular Weight | 421.25 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.24643 |
| Heavy Atoms | 30 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 70420-60-9 |
|---|---|
| SMILES | CCN1C2C34C5CCC(C3C(C2(C6(CC(C7CC4C6C7O)OC)O)O)OC)(C1O5)C |
| InChIKey | AWWAQKSURZEXBW-UHFFFAOYSA-N |
Product Overview
Gadesine (CAS 70420-60-9), with molecular formula C23H35NO6 and molecular weight 421.25 g/mol. IUPAC: 4-ethyl-12,16-dimethoxy-10-methyl-6-oxa-4-azaheptacyclo[15.2.1.02,7.02,11.03,13.05,10.014,19]icosane-13,14,18-triol.
Chemical Property Profile of Gadesine
Property Insights of Gadesine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gadesine. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Gadesine. Following Lipinski's Rule of Five, Gadesine has 3 hydrogen bond donor(s) and 7 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 Gadesine?
The CAS number of Gadesine is 70420-60-9.
What is the molecular formula of Gadesine?
The molecular formula of Gadesine is C23H35NO6.
What is the molecular weight of Gadesine?
The molecular weight of Gadesine is 421.25 g/mol.
Where can I buy Gadesine?
You can request a quote for Gadesine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadesine?
Yes, KEHONG BIO provides custom synthesis services for Gadesine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.