2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate
TL;DR: 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate (CAS 133042-00-9) is a chemical compound with molecular formula C22H21NO5S and molecular weight 411.11404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-tert-butylbenzenesulfonate
Also Known As: 2-Anqbb, 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate, [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-tert-butylbenzenesulfonate, 6-(aziridin-1-yl)-5,8-dioxo-5,8-dihydronaphthalen-1-yl 4-tert-butylbenzene-1-sulfonate, 2-(1-Aziridinyl)-5-(4-tert-butylphenylsulfonyloxy)-1,4-naphthoquinone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H21NO5S |
| Molecular Weight | 411.11404 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.11404 Da |
| Heavy Atoms | 29 |
| Complexity | 807.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C=C(C3=O)N4CC4 |
| InChIKey | UFXITINRXJOWMR-UHFFFAOYSA-N |
Chemical Property Profile of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate
Property Insights of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate
The XLogP value of 4.3 indicates that 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate. Following Lipinski's Rule of Five, 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate?
The CAS number of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate is 133042-00-9.
What is the molecular formula of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate?
The molecular formula of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate is C22H21NO5S.
What is the molecular weight of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate?
The molecular weight of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate is 411.11404 g/mol.
Where can I buy 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate?
You can request a quote for 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.