Confoline
TL;DR: Confoline (CAS 76971-33-0) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate
Also Known As: Confoline, ((1R,5S)-8-formyl-8-azabicyclo(3.2.1)octan-3-yl) 3,4-dimethoxybenzoate, (1R,5S)-8-formyl-8-azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate, [(1R,5S)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate, (1R,5S)-8-FORMYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL 3,4-DIMETHOXYBENZOATE
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 2.0124 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 588.64655 |
Chemical Identifiers
| CAS Number | 76971-33-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C=O)OC |
Product Overview
Confoline (CAS 76971-33-0), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: [(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate.
Chemical Property Profile of Confoline
Property Insights of Confoline
The XLogP value of 2.0124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Confoline. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Confoline. Following Lipinski's Rule of Five, Confoline 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 Confoline?
The CAS number of Confoline is 76971-33-0.
What is the molecular formula of Confoline?
The molecular formula of Confoline is C17H21NO5.
What is the molecular weight of Confoline?
The molecular weight of Confoline is 319.14 g/mol.
Where can I buy Confoline?
You can request a quote for Confoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Confoline?
Yes, KEHONG BIO provides custom synthesis services for Confoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.