3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl- (CAS 57269-43-9) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methyl-2,7-diazabicyclo[3.2.1]octane-7-carbonyl)phenyl]acetic acid
Also Known As: 5-23-03-00462 (Beilstein Handbook Reference), 8-((alpha-Carboxy)-p-toluoyl)-3-methyl-3,8-diazabicyclo(3.2.1)octane, {4-[(2-methyl-2,7-diazabicyclo[3.2.1]oct-7-yl)carbonyl]phenyl}acetic acid, 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl-, [4-(2-Methyl-2,7-diazabicyclo[3.2.1]octane-7-carbonyl)phenyl]acetic acid
| Molecular Formula | C16H20N2O3 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.1474 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 57269-43-9 |
|---|---|
| SMILES | CN1CCC2CC1N(C2)C(=O)C3=CC=C(C=C3)CC(=O)O |
| InChIKey | LVDCIFZWIXIYMZ-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl- (CAS 57269-43-9), with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol. IUPAC: 2-[4-(2-methyl-2,7-diazabicyclo[3.2.1]octane-7-carbonyl)phenyl]acetic acid.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl-
The XLogP value of -0.7 indicates that 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl-. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl- has 1 hydrogen bond donor(s) and 4 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 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl- is 57269-43-9.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl- is C16H20N2O3.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl- is 288.15 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-carboxy)-p-toluoyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.