![9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one structure](/static/products/1212/1212270-73-9.webp)
9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one
TL;DR: 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one (CAS 1212270-73-9) is a chemical compound with molecular formula C13H17NOS2 and molecular weight 267.07516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one
Also Known As: 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one, 3,3-dimethyl-5,9-dithia-7-azatetracyclo[9.2.1.0<2,10>.0<4,8>]tetradec-4(8)-en- 6-one
Technical Specifications
| Molecular Formula | C13H17NOS2 |
| Molecular Weight | 267.07516 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.07516 Da |
| Heavy Atoms | 17 |
| Complexity | 443.0 |
| SMILES | CC1(C2C3CCC(C3)C2SC4=C1SC(=O)N4)C |
| InChIKey | MDPJYVAFNUZNLW-UHFFFAOYSA-N |
Chemical Property Profile of 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one
Property Insights of 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one
The XLogP value of 3.5 indicates that 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one. Following Lipinski's Rule of Five, 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one has 1 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 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one?
The CAS number of 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one is 1212270-73-9.
What is the molecular formula of 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one?
The molecular formula of 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one is C13H17NOS2.
What is the molecular weight of 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one?
The molecular weight of 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one is 267.07516 g/mol.
Where can I buy 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one?
You can request a quote for 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one?
Yes, CoreyChem provides custom synthesis services for 9,9-dimethyl-3,7-dithia-5-azatetracyclo[9.2.1.0^{2,10}.0^{4,8}]tetradec-4(8)-en-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.