Glycinoeclepin A
TL;DR: Glycinoeclepin A (CAS 83216-10-8) is a chemical compound with molecular formula C25H34O7 and molecular weight 446.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,7R,7aS)-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-7-hydroxy-1-[(2R)-4-methoxy-4-oxobutan-2-yl]-7a-methyl-1,2,6,7-tetrahydroindene-4-carboxylic acid
Also Known As: Glycinoeclepin A, (1R,7R,7aS)-5-[[(1S,4S)-2,2-dimethyl-3-oxo-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-7-hydroxy-1-[(2R)-4-methoxy-4-oxobutan-2-yl]-7a-methyl-1,2,6,7-tetrahydroindene-4-carboxylic acid, 1H-Indene-1-propanoic acid, 4-carboxy-5-(((1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo(2.2.1)hept-1-yl)methyl)-2,6,7,7a-tetrahydro-7-hydroxy-beta,1,7a-trimethyl-, (betaR,1S,7R,7aS)-
| Molecular Formula | C25H34O7 |
|---|---|
| Molecular Weight | 446.23 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.23044 |
| Heavy Atoms | 32 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 83216-10-8 |
|---|---|
| SMILES | C[C@H](CC(=O)OC)[C@H]1CC=C2[C@]1([C@@H](CC(=C2C(=O)O)C[C@]34CC[C@H](O3)C(C4=O)(C)C)O)C |
| InChIKey | NCDJEAVGCDSPAM-LKHXZUHFSA-N |
Product Overview
Glycinoeclepin A (CAS 83216-10-8), with molecular formula C25H34O7 and molecular weight 446.23 g/mol. IUPAC: (1R,7R,7aS)-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-7-hydroxy-1-[(2R)-4-methoxy-4-oxobutan-2-yl]-7a-methyl-1,2,6,7-tetrahydroindene-4-carboxylic acid.
Chemical Property Profile of Glycinoeclepin A
Property Insights of Glycinoeclepin A
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycinoeclepin A. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycinoeclepin A. Following Lipinski's Rule of Five, Glycinoeclepin A has 2 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 Glycinoeclepin A?
The CAS number of Glycinoeclepin A is 83216-10-8.
What is the molecular formula of Glycinoeclepin A?
The molecular formula of Glycinoeclepin A is C25H34O7.
What is the molecular weight of Glycinoeclepin A?
The molecular weight of Glycinoeclepin A is 446.23 g/mol.
Where can I buy Glycinoeclepin A?
You can request a quote for Glycinoeclepin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycinoeclepin A?
Yes, KEHONG BIO provides custom synthesis services for Glycinoeclepin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.