3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride
TL;DR: 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride (CAS 86433-55-8) is a chemical compound with molecular formula C25H26ClNO4 and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
Also Known As: 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrochloride, endo-, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate hydrochloride, 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate--hydrogen chloride (1/1), RefChem:297429
| Molecular Formula | C25H26ClNO4 |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 4.97222 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.15503 |
| Heavy Atoms | 31 |
| Complexity | 1159.3507 |
Chemical Identifiers
| CAS Number | 86433-55-8 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC3CC4CCC(C3)N4C)C5=CC=CC=C5.Cl |
Product Overview
3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride (CAS 86433-55-8), with molecular formula C25H26ClNO4 and molecular weight 439.16 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride.
Chemical Property Profile of 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride
Property Insights of 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride
The XLogP value of 4.97222 indicates that 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.75 Ų, 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride has 0 hydrogen bond donor(s) and 5 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 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride?
The CAS number of 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride is 86433-55-8.
What is the molecular formula of 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride?
The molecular formula of 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride is C25H26ClNO4.
What is the molecular weight of 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride?
The molecular weight of 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride is 439.16 g/mol.
Where can I buy 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride?
You can request a quote for 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Tropinyl 3-methylflavone-8-carboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.