2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate
TL;DR: 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate (CAS 133041-99-3) is a chemical compound with molecular formula C20H17NO5S and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-ethylbenzenesulfonate
Also Known As: 2-Anqeb, 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate, [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-ethylbenzenesulfonate, 2-aziridinyl-1,4-naphthoquinon-5-yl4-ethylbenzenesulfonate, 2-(1-Aziridinyl)-5-(4-ethylphenylsulfonyloxy)-1,4-naphthoquinone
| Molecular Formula | C20H17NO5S |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.08273 |
| Heavy Atoms | 27 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 133041-99-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C=C(C3=O)N4CC4 |
| InChIKey | XQYMEAHEGCAQLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate (CAS 133041-99-3), with molecular formula C20H17NO5S and molecular weight 383.08 g/mol. IUPAC: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-ethylbenzenesulfonate.
Chemical Property Profile of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate
Property Insights of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate
The XLogP value of 3.5 indicates that 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate 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-ethylbenzenesulfonate. Following Lipinski's Rule of Five, 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate 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
Frequently Asked Questions
What is the CAS number of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate?
The CAS number of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate is 133041-99-3.
What is the molecular formula of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate?
The molecular formula of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate is C20H17NO5S.
What is the molecular weight of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate?
The molecular weight of 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate is 383.08 g/mol.
Where can I buy 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate?
You can request a quote for 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.