2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione
TL;DR: 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione (CAS 443-76-5) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(aziridin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione
Also Known As: 2-ethyleneimino-5,6,7,8-tetrahydronaphthoquinone, 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione, 2-Ethylenimino-5,6,7,8-tetrahydronaphthoquinone-1,4, 2-(aziridin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione, 2-Ethyleneimino-5,6,7,8-tetrahydronaphthoquinone-1,4
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 443-76-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)C=C(C2=O)N3CC3 |
| InChIKey | MWOHJANRPKUELV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione (CAS 443-76-5), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2-(aziridin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione.
Chemical Property Profile of 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione
Property Insights of 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione. With a topological polar surface area (TPSA) of 37.2 Ų, 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione 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-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione?
The CAS number of 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione is 443-76-5.
What is the molecular formula of 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione?
The molecular formula of 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione is C12H13NO2.
What is the molecular weight of 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione?
The molecular weight of 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione is 203.09 g/mol.
Where can I buy 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione?
You can request a quote for 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.