3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)- (CAS 57269-22-4) 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.
(7-methyl-2,7-diazabicyclo[3.2.1]octan-2-yl)-(2-nitrophenyl)methanone
Also Known As: Cefamandole formate, 8-Methyl-3-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane, 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-, (6-methyl-4,6-diazabicyclo[3.2.1]octan-4-yl)-(2-nitrophenyl)methanone, (7-Methyl-2,7-diazabicyclo[3.2.1]octan-2-yl)(2-nitrophenyl)methanone
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 1.9 |
| 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 | 409.0 |
Chemical Identifiers
| CAS Number | 57269-22-4 |
|---|---|
| SMILES | CN1CC2CCN(C1C2)C(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | GGYNZODWRZBHDV-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)- (CAS 57269-22-4), with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol. IUPAC: (7-methyl-2,7-diazabicyclo[3.2.1]octan-2-yl)-(2-nitrophenyl)methanone.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)- 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-methyl-3-(o-nitrobenzoyl)-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)- is 57269-22-4.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)- is C14H17N3O3.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)- is 275.13 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)- 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-methyl-3-(o-nitrobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.