3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl- (CAS 57269-41-7) is a chemical compound with molecular formula C18H24N2O3 and molecular weight 316.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(2-methyl-2,7-diazabicyclo[3.2.1]octane-7-carbonyl)phenyl]acetate
Also Known As: 8-((alpha-Ethoxycarbonyl)-p-toluoyl)-3-methyl-3,8-diazabicyclo(3.2.1)octane, 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl-, ethyl{4-[(2-methyl-2,7-diazabicyclo[3.2.1]oct-7-yl)carbonyl]phenyl}acetate, Ethyl [4-(2-methyl-2,7-diazabicyclo[3.2.1]octane-7-carbonyl)phenyl]acetate, ethyl 2-[4-(4-methyl-4,6-diazabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetate
| Molecular Formula | C18H24N2O3 |
|---|---|
| Molecular Weight | 316.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.17868 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 57269-41-7 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=C(C=C1)C(=O)N2CC3CCN(C2C3)C |
| InChIKey | QHCJVOUPWUIWLC-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl- (CAS 57269-41-7), with molecular formula C18H24N2O3 and molecular weight 316.18 g/mol. IUPAC: ethyl 2-[4-(2-methyl-2,7-diazabicyclo[3.2.1]octane-7-carbonyl)phenyl]acetate.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl-. With a topological polar surface area (TPSA) of 49.9 Ų, 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl- has 0 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-ethoxycarbonyl)-p-toluoyl)-3-methyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl- is 57269-41-7.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl- is C18H24N2O3.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl- is 316.18 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-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-ethoxycarbonyl)-p-toluoyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 8-((alpha-ethoxycarbonyl)-p-toluoyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.