Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate
TL;DR: Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate (CAS 6641-25-4) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl 4-nitrobenzoate
Also Known As: trans-9-Decalyl p-nitrobenzoat, octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate, 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl 4-nitrobenzoate, 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl 4-nitrobenzoa, 4a(2H)-Naphthalenol,octahydro-, 4-nitrobenzoate, trans- (9CI)
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 6641-25-4 |
|---|---|
| SMILES | C1CCC2(CCCCC2C1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | IOGMREWJBIKAMV-UHFFFAOYSA-N |
Product Overview
Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate (CAS 6641-25-4), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl 4-nitrobenzoate.
Chemical Property Profile of Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate
Property Insights of Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate
The XLogP value of 4.5 indicates that Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate 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 Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate?
The CAS number of Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate is 6641-25-4.
What is the molecular formula of Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate?
The molecular formula of Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate is C17H21NO4.
What is the molecular weight of Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate?
The molecular weight of Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate is 303.15 g/mol.
Where can I buy Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate?
You can request a quote for Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Octahydronaphthalen-4a(2h)-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.