1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide
TL;DR: 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide (CAS 4708-92-3) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-7,8-dihydro-6H-acenaphthylene-1-carboxamide
Also Known As: NCIOpen2_007008, 2-oxo-2,6,7,8-tetrahydroacenaphthylene-1-carboxamide, 2-oxo-7,8-dihydro-6H-acenaphthylene-1-carboxamide, 2-Carbamoyl-3.4-trimethyleno-1-indenon, 1-OXO-1,3,4,5-TETRAHYDROACENAPHTHYLENE-2-CARBOXAMIDE
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 4708-92-3 |
|---|---|
| SMILES | C1CC2=C3C(=C(C(=O)C3=CC=C2)C(=O)N)C1 |
| InChIKey | SFRLORUXHRMRMQ-UHFFFAOYSA-N |
Product Overview
1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide (CAS 4708-92-3), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: 2-oxo-7,8-dihydro-6H-acenaphthylene-1-carboxamide.
Chemical Property Profile of 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide
Property Insights of 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide. Following Lipinski's Rule of Five, 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide has 1 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-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide?
The CAS number of 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide is 4708-92-3.
What is the molecular formula of 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide?
The molecular formula of 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide is C13H11NO2.
What is the molecular weight of 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide?
The molecular weight of 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide is 213.08 g/mol.
Where can I buy 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide?
You can request a quote for 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-1,3,4,5-tetrahydroacenaphthylene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.