Glaucerine
TL;DR: Glaucerine (CAS 78018-29-8) is a chemical compound with molecular formula C30H45NO9 and molecular weight 563.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(21-acetyloxy-14-ethyl-2-hydroxy-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-4-yl) 2-methylpropanoate
Also Known As: Undecenonitrile, Aconitane-6,10,14-triol, 20-ethyl-1,16-dimethoxy-4-methyl-7,8-(methylenebis(oxy))-, 6-acetate 14-(2-methylpropanoate), (1alpha,6beta,14alpha,16beta)-, GLAUCERINE
| Molecular Formula | C30H45NO9 |
|---|---|
| Molecular Weight | 563.31 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 563.30945 |
| Heavy Atoms | 40 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 78018-29-8 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4(C6C7OC(=O)C(C)C)O)OC)OCO5)OC(=O)C)OC)C |
| InChIKey | CTIUZFAMJMQFHC-UHFFFAOYSA-N |
Product Overview
Glaucerine (CAS 78018-29-8), with molecular formula C30H45NO9 and molecular weight 563.31 g/mol. IUPAC: (21-acetyloxy-14-ethyl-2-hydroxy-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-4-yl) 2-methylpropanoate.
Chemical Property Profile of Glaucerine
Property Insights of Glaucerine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glaucerine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Glaucerine. Following Lipinski's Rule of Five, Glaucerine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glaucerine?
The CAS number of Glaucerine is 78018-29-8.
What is the molecular formula of Glaucerine?
The molecular formula of Glaucerine is C30H45NO9.
What is the molecular weight of Glaucerine?
The molecular weight of Glaucerine is 563.31 g/mol.
Where can I buy Glaucerine?
You can request a quote for Glaucerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glaucerine?
Yes, KEHONG BIO provides custom synthesis services for Glaucerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.