3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane
TL;DR: 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane (CAS 27266-01-9) is a chemical compound with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(2-nitrophenyl)methanone
Also Known As: 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane, 5-23-03-00462 (Beilstein Handbook Reference), 3-Methyl-8- -3,8-diazabicyclo[3.2.1]octane, 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(o-nitrobenzoyl)-, 3,8-Diazabicyclo[3.2.1]octane, 3-methyl-8-(o-nitrobenzoyl)-
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.12698 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 27266-01-9 |
|---|---|
| SMILES | CN1CC2CCC(C1)N2C(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | MVHSJESGFPGIJJ-UHFFFAOYSA-N |
Product Overview
3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane (CAS 27266-01-9), with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol. IUPAC: (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(2-nitrophenyl)methanone.
Chemical Property Profile of 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane
Property Insights of 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane. Following Lipinski's Rule of Five, 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane 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-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane?
The CAS number of 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane is 27266-01-9.
What is the molecular formula of 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane?
The molecular formula of 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane is C14H17N3O3.
What is the molecular weight of 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane?
The molecular weight of 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane is 275.13 g/mol.
Where can I buy 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane?
You can request a quote for 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.