Convoline
TL;DR: Convoline (CAS 89783-61-9) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-hydroxy-8-azabicyclo[3.2.1]octan-3-yl) 3,4-dimethoxybenzoate
Also Known As: Convoline, (8-hydroxy-8-azabicyclo[3.2.1]octan-3-yl) 3,4-dimethoxybenzoate, (8-hydroxy-8-azabicyclo(3.2.1)octan-3-yl) 3,4-dimethoxybenzoate, 8-Hydroxy-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate, RefChem:127826
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 89783-61-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2CC3CCC(C2)N3O)OC |
| InChIKey | QKXIPWXFQDIWOM-UHFFFAOYSA-N |
Product Overview
Convoline (CAS 89783-61-9), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: (8-hydroxy-8-azabicyclo[3.2.1]octan-3-yl) 3,4-dimethoxybenzoate.
Chemical Property Profile of Convoline
Property Insights of Convoline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Convoline. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Convoline. Following Lipinski's Rule of Five, Convoline has 1 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 Convoline?
The CAS number of Convoline is 89783-61-9.
What is the molecular formula of Convoline?
The molecular formula of Convoline is C16H21NO5.
What is the molecular weight of Convoline?
The molecular weight of Convoline is 307.14 g/mol.
Where can I buy Convoline?
You can request a quote for Convoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Convoline?
Yes, KEHONG BIO provides custom synthesis services for Convoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.