2-Amino-3-benzoyloctahydronaphthalene-1,4-dione
TL;DR: 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione (CAS 7147-65-1) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-benzoyl-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
Also Known As: 2-amino-3-benzoyloctahydronaphthalene-1,4-dione, 1,4-Naphthalenedione,2-amino-3-benzoyloctahydro-, 2-amino-3-benzoyl-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4, 2-amino-3-benzoyl-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
| Molecular Formula | C17H19NO3 |
|---|---|
| Molecular Weight | 285.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.1365 |
| Heavy Atoms | 21 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 7147-65-1 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)C(C(C2=O)N)C(=O)C3=CC=CC=C3 |
| InChIKey | RLMCQGNTVUZGDZ-UHFFFAOYSA-N |
Product Overview
2-Amino-3-benzoyloctahydronaphthalene-1,4-dione (CAS 7147-65-1), with molecular formula C17H19NO3 and molecular weight 285.14 g/mol. IUPAC: 2-amino-3-benzoyl-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione.
Chemical Property Profile of 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione
Property Insights of 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione has 1 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 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione?
The CAS number of 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione is 7147-65-1.
What is the molecular formula of 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione?
The molecular formula of 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione is C17H19NO3.
What is the molecular weight of 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione?
The molecular weight of 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione is 285.14 g/mol.
Where can I buy 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione?
You can request a quote for 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-benzoyloctahydronaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.