1,2-Naphthalenedione, 4-(1-aziridinyl)-
TL;DR: 1,2-Naphthalenedione, 4-(1-aziridinyl)- (CAS 439-55-4) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aziridin-1-yl)naphthalene-1,2-dione
Also Known As: 4-Ethyleniminonaphthoquinone-1,2, 1,2-Naphthalenedione, 4-(1-aziridinyl)-, 4-(1-Aziridinyl)-1,2-naphthalenedione, 1, 4-(1-aziridinyl)-, 4-(aziridin-1-yl)naphthalene-1,2-dione
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 37.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 439-55-4 |
|---|---|
| SMILES | C1CN1C2=CC(=O)C(=O)C3=CC=CC=C32 |
| InChIKey | KWBYKWLHLZKMKF-UHFFFAOYSA-N |
Product Overview
1,2-Naphthalenedione, 4-(1-aziridinyl)- (CAS 439-55-4), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 4-(aziridin-1-yl)naphthalene-1,2-dione.
Chemical Property Profile of 1,2-Naphthalenedione, 4-(1-aziridinyl)-
Property Insights of 1,2-Naphthalenedione, 4-(1-aziridinyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Naphthalenedione, 4-(1-aziridinyl)-. With a topological polar surface area (TPSA) of 37.2 Ų, 1,2-Naphthalenedione, 4-(1-aziridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Naphthalenedione, 4-(1-aziridinyl)- 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 1,2-Naphthalenedione, 4-(1-aziridinyl)-?
The CAS number of 1,2-Naphthalenedione, 4-(1-aziridinyl)- is 439-55-4.
What is the molecular formula of 1,2-Naphthalenedione, 4-(1-aziridinyl)-?
The molecular formula of 1,2-Naphthalenedione, 4-(1-aziridinyl)- is C12H9NO2.
What is the molecular weight of 1,2-Naphthalenedione, 4-(1-aziridinyl)-?
The molecular weight of 1,2-Naphthalenedione, 4-(1-aziridinyl)- is 199.06 g/mol.
Where can I buy 1,2-Naphthalenedione, 4-(1-aziridinyl)-?
You can request a quote for 1,2-Naphthalenedione, 4-(1-aziridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Naphthalenedione, 4-(1-aziridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Naphthalenedione, 4-(1-aziridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.