1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one
TL;DR: 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one (CAS 104636-98-8) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-10-(1H-pyrrole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one
Also Known As: 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, Cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one, 1,2,8,8a-tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)-, 3-Methyl-6-(1H-pyrrole-2-carbonyl)-4,4a,5,6-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-8(1H)-one
| Molecular Formula | C17H15N3O2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.11642 |
| Heavy Atoms | 22 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 104636-98-8 |
|---|---|
| SMILES | CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC=CN5 |
| InChIKey | MOOAKKYULIFOPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one (CAS 104636-98-8), with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol. IUPAC: 3-methyl-10-(1H-pyrrole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one.
Chemical Property Profile of 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one
Property Insights of 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one. Following Lipinski's Rule of Five, 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one has 2 hydrogen bond donor(s) and 2 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 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one?
The CAS number of 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one is 104636-98-8.
What is the molecular formula of 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one?
The molecular formula of 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one is C17H15N3O2.
What is the molecular weight of 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one?
The molecular weight of 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one is 293.12 g/mol.
Where can I buy 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one?
You can request a quote for 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,8,8a-Tetrahydro-7-methyl-2-(1H-pyrrolo-2-ylcarbonyl)cyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.