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 203.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(aziridin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione
Also Known As: A-137, A 137, 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
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.09464 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 37.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 Da |
| Heavy Atoms | 15 |
| Complexity | 413.0 |
| SMILES | C1CCC2=C(C1)C(=O)C=C(C2=O)N3CC3 |
| InChIKey | MWOHJANRPKUELV-UHFFFAOYSA-N |
Product Description
Applications: 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione (CAS 443-76-5) has the molecular formula C12H13NO2 and a molecular weight of 203.09 g/mol. Synonyms include A-137 and A 137.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 203.09464 g/mol.
What are the applications of 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione?
2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione?
Yes, CoreyChem 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.