8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate
TL;DR: 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate (CAS 307974-65-8) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
Also Known As: Convolvine, Convolvin, rac-Convolvine, Veratroylnortropine, ChemDiv2_002222
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 307974-65-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2CC3CCC(C2)N3)OC |
| InChIKey | HDLNHIIKSUHARQ-UHFFFAOYSA-N |
Product Overview
8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate (CAS 307974-65-8), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: 8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate.
Chemical Property Profile of 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate
Property Insights of 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate. With a topological polar surface area (TPSA) of 56.8 Ų, 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate has 1 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 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate?
The CAS number of 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate is 307974-65-8.
What is the molecular formula of 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate?
The molecular formula of 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate is C16H21NO4.
What is the molecular weight of 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate?
The molecular weight of 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate is 291.15 g/mol.
Where can I buy 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate?
You can request a quote for 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.