2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine
TL;DR: 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine (CAS 367928-12-9) is a chemical compound with molecular formula C19H27NO4 and molecular weight 333.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-4-pentan-3-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
Also Known As: 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine, A2384/0100883, 2-(4-nitrophenyl)-4-pentan-3-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine, 4-(1-Ethylpropyl)-2-(4-nitrophenyl)hexahydro-4H-1,3-benzodioxine, 4h-1,3-benzodioxin, 4-(1-ethylpropyl)hexahydro-2-(4-nitrophenyl)-
| Molecular Formula | C19H27NO4 |
|---|---|
| Molecular Weight | 333.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.194 |
| Heavy Atoms | 24 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 367928-12-9 |
|---|---|
| SMILES | CCC(CC)C1C2CCCCC2OC(O1)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | JZAOGXMHBXOVBR-UHFFFAOYSA-N |
Product Overview
2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine (CAS 367928-12-9), with molecular formula C19H27NO4 and molecular weight 333.19 g/mol. IUPAC: 2-(4-nitrophenyl)-4-pentan-3-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.
Chemical Property Profile of 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine
Property Insights of 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine
The XLogP value of 5.0 indicates that 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine. Following Lipinski's Rule of Five, 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine 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 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine?
The CAS number of 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine is 367928-12-9.
What is the molecular formula of 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine?
The molecular formula of 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine is C19H27NO4.
What is the molecular weight of 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine?
The molecular weight of 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine is 333.19 g/mol.
Where can I buy 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine?
You can request a quote for 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.