Ligularidine
TL;DR: Ligularidine (CAS 90364-91-3) is a chemical compound with molecular formula C21H29NO7 and molecular weight 407.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl) acetate
Also Known As: Ligularidine, Neoligularidine
| Molecular Formula | C21H29NO7 |
|---|---|
| Molecular Weight | 407.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.1944 |
| Heavy Atoms | 29 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 90364-91-3 |
|---|---|
| SMILES | CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)OC(=O)C)C |
| InChIKey | ZOIAVVNLMDKOIV-UHFFFAOYSA-N |
Product Overview
Ligularidine (CAS 90364-91-3), with molecular formula C21H29NO7 and molecular weight 407.19 g/mol. IUPAC: (4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl) acetate.
Chemical Property Profile of Ligularidine
Property Insights of Ligularidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ligularidine. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ligularidine. Following Lipinski's Rule of Five, Ligularidine has 0 hydrogen bond donor(s) and 8 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 Ligularidine?
The CAS number of Ligularidine is 90364-91-3.
What is the molecular formula of Ligularidine?
The molecular formula of Ligularidine is C21H29NO7.
What is the molecular weight of Ligularidine?
The molecular weight of Ligularidine is 407.19 g/mol.
Where can I buy Ligularidine?
You can request a quote for Ligularidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ligularidine?
Yes, KEHONG BIO provides custom synthesis services for Ligularidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.