3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione
TL;DR: 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione (CAS 38558-93-9) is a chemical compound with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione
Also Known As: 3-azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione, 3-azido-2,5-ditert-butyl-cyclohexa-2,5-diene-1,4-dione, 3-AZIDO-2,5-DI-TERT-BUTYLCYCLOHEXA-2,5-DIENE-1,4-DIONE
| Molecular Formula | C14H19N3O2 |
|---|---|
| Molecular Weight | 261.15 g/mol |
| LogP | 3.7212 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.14774 |
| Heavy Atoms | 19 |
| Complexity | 548.2206 |
Chemical Identifiers
| CAS Number | 38558-93-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)C(=C(C1=O)N=[N+]=[N-])C(C)(C)C |
Product Overview
3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione (CAS 38558-93-9), with molecular formula C14H19N3O2 and molecular weight 261.15 g/mol. IUPAC: 3-azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione
Property Insights of 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione
The XLogP value of 3.7212 indicates that 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione has 0 hydrogen bond donor(s) and 3 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 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione?
The CAS number of 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione is 38558-93-9.
What is the molecular formula of 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione?
The molecular formula of 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione is C14H19N3O2.
What is the molecular weight of 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione?
The molecular weight of 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione is 261.15 g/mol.
Where can I buy 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione?
You can request a quote for 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-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 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Azido-2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.