4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole
TL;DR: 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole (CAS 372156-05-3) is a chemical compound with molecular formula C17H25NO4 and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole
Also Known As: 4,7-ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole, BIM-0016797.P001, 4,7-di-tert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole, 4,7-Di-tert-butyl-2,2-dimethyl-5-nitro-2H-1,3-benzodioxole, 4,7-di-tert-butyl-2,2-dimethyl-5-nitrobenzo[d][1,3]dioxole
| Molecular Formula | C17H25NO4 |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 4.6971 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.17834 |
| Heavy Atoms | 22 |
| Complexity | 633.5297 |
Chemical Identifiers
| CAS Number | 372156-05-3 |
|---|---|
| SMILES | CC1(OC2=C(O1)C(=C(C=C2C(C)(C)C)[N+](=O)[O-])C(C)(C)C)C |
Product Overview
4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole (CAS 372156-05-3), with molecular formula C17H25NO4 and molecular weight 307.18 g/mol. IUPAC: 4,7-ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole.
Chemical Property Profile of 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole
Property Insights of 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole
The XLogP value of 4.6971 indicates that 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole. Following Lipinski's Rule of Five, 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole 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 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole?
The CAS number of 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole is 372156-05-3.
What is the molecular formula of 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole?
The molecular formula of 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole is C17H25NO4.
What is the molecular weight of 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole?
The molecular weight of 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole is 307.18 g/mol.
Where can I buy 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole?
You can request a quote for 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Ditert-butyl-2,2-dimethyl-5-nitro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.