Chemical Compound (C21H28NO6+)
TL;DR: Chemical Compound (C21H28NO6+) (CAS 71673-82-0) is a chemical compound with molecular formula C21H28NO6+ and molecular weight 390.19 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-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadeca-11(17),12-dien-7-yl) acetate
| Molecular Formula | C21H28NO6+ |
|---|---|
| Molecular Weight | 390.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.19165 |
| Heavy Atoms | 28 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 71673-82-0 |
|---|---|
| SMILES | CC=C1CC(C(C(=O)OCC2=C3C(CC[N+]3(C=C2)C)OC1=O)(C)OC(=O)C)C |
| InChIKey | SYWYSTAQDCUFOD-UHFFFAOYSA-N |
Product Overview
Chemical Compound (C21H28NO6+) (CAS 71673-82-0), with molecular formula C21H28NO6+ and molecular weight 390.19 g/mol. IUPAC: (4-ethylidene-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadeca-11(17),12-dien-7-yl) acetate.
Chemical Property Profile of Chemical Compound (C21H28NO6+)
Property Insights of Chemical Compound (C21H28NO6+)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chemical Compound (C21H28NO6+). The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Chemical Compound (C21H28NO6+). Following Lipinski's Rule of Five, Chemical Compound (C21H28NO6+) has 0 hydrogen bond donor(s) and 6 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 Chemical Compound (C21H28NO6+)?
The CAS number of Chemical Compound (C21H28NO6+) is 71673-82-0.
What is the molecular formula of Chemical Compound (C21H28NO6+)?
The molecular formula of Chemical Compound (C21H28NO6+) is C21H28NO6+.
What is the molecular weight of Chemical Compound (C21H28NO6+)?
The molecular weight of Chemical Compound (C21H28NO6+) is 390.19 g/mol.
Where can I buy Chemical Compound (C21H28NO6+)?
You can request a quote for Chemical Compound (C21H28NO6+) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C21H28NO6+)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C21H28NO6+) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.