(7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester
TL;DR: (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester (CAS 127379-15-1) is a chemical compound with molecular formula C17H20N2O3 and molecular weight 300.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (1R)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carboxylate
Also Known As: (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 2-methyl-, (exo,exo)-, tert-Butyl (3bR)-3-methyl-8-oxo-1,4a,5,8-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indole-6(4H)-carboxylate, tert-Butyl 3-methyl-8-oxo-1,4a,5,8-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indole-6(4H)-carboxylate
Technical Specifications
| Molecular Formula | C17H20N2O3 |
| Molecular Weight | 300.1474 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.1474 Da |
| Heavy Atoms | 22 |
| Complexity | 591.0 |
| SMILES | CC1=CNC2=C1[C@@]34CC3CN(C4=CC2=O)C(=O)OC(C)(C)C |
| InChIKey | QRZAJMUQMIQAAY-LKDXBUKQSA-N |
Chemical Property Profile of (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester
Property Insights of (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester 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 (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester?
The CAS number of (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester is 127379-15-1.
What is the molecular formula of (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester?
The molecular formula of (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester is C17H20N2O3.
What is the molecular weight of (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester?
The molecular weight of (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester is 300.1474 g/mol.
Where can I buy (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester?
You can request a quote for (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester?
Yes, CoreyChem provides custom synthesis services for (7Br)-4,5,8,8a-tetrahydro-7-methyl-4-oxo-cyclopropa(c)pyrrolo(3,2-e)indole-2(1H)-carboxylic acid 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.