1,4-Methanonaphthalene, 1,4-dihydro-6-nitro-
TL;DR: 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro- (CAS 42810-33-3) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
Also Known As: 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro-, 1,4-Methanonaphthalene,1,4-dihydro-6-nitro-, 1,4-Methanonaphthalene,1,4-dihydro-6-nitro, 6-Nitro-1,4-dihydro-1,4-methanonaphthalene, 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 42810-33-3 |
|---|---|
| SMILES | C1C2C=CC1C3=C2C=CC(=C3)[N+](=O)[O-] |
| InChIKey | WYFWXPVPVXACFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Methanonaphthalene, 1,4-dihydro-6-nitro- (CAS 42810-33-3), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 4-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
Chemical Property Profile of 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro-
Property Insights of 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro-. With a topological polar surface area (TPSA) of 45.8 Ų, 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro- has 0 hydrogen bond donor(s) and 2 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 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro-?
The CAS number of 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro- is 42810-33-3.
What is the molecular formula of 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro-?
The molecular formula of 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro- is C11H9NO2.
What is the molecular weight of 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro-?
The molecular weight of 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro- is 187.06 g/mol.
Where can I buy 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro-?
You can request a quote for 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Methanonaphthalene, 1,4-dihydro-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.