2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione
TL;DR: 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione (CAS 6823-50-3) is a chemical compound with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(aziridin-1-yl)-3-chloronaphthalene-1,4-dione
Also Known As: 2-(aziridin-1-yl)-3-chloronaphthalene-1,4-dione, 2-Aziridino-3-chlor-<1,4>naphthochinon, 2-(Aziridin-1-yl)-3-chloro-1,4-naphthoquinone, 1,4-Naphthalenedione,2-(1-aziridinyl)-3-chloro-, 2-(aziridin-1-yl)-3-chloro-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C12H8ClNO2 |
|---|---|
| Molecular Weight | 233.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.02435 |
| Heavy Atoms | 16 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 6823-50-3 |
|---|---|
| SMILES | C1CN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | CENRWQNKDFNADP-UHFFFAOYSA-N |
Product Overview
2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione (CAS 6823-50-3), with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol. IUPAC: 2-(aziridin-1-yl)-3-chloronaphthalene-1,4-dione.
Chemical Property Profile of 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione
Property Insights of 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 37.2 Ų, 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Aziridin-1-yl)-3-chloronaphthalene-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 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione?
The CAS number of 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione is 6823-50-3.
What is the molecular formula of 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione?
The molecular formula of 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione is C12H8ClNO2.
What is the molecular weight of 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione?
The molecular weight of 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione is 233.02 g/mol.
Where can I buy 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione?
You can request a quote for 2-(Aziridin-1-yl)-3-chloronaphthalene-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 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Aziridin-1-yl)-3-chloronaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.