![(11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione structure](/static/products/957/957006-48-3.png)
(11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
TL;DR: (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 957006-48-3) is a chemical compound with molecular formula C23H28N4O3 and molecular weight 408.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-methyl-4-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
Also Known As: (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione, (S)-11b-methyl-2-((S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
| Molecular Formula | C23H28N4O3 |
|---|---|
| Molecular Weight | 408.22 g/mol |
| LogP | 2.8504 |
| Topological Polar Surface Area | 76.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.21616 |
| Heavy Atoms | 30 |
| Complexity | 1051.8955 |
Chemical Identifiers
| CAS Number | 957006-48-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N1CCCC1)N2C(=O)[C@@]3(C4=C(CCN3C2=O)C5=CC=CC=C5N4)C |
Product Overview
(11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 957006-48-3), with molecular formula C23H28N4O3 and molecular weight 408.22 g/mol. IUPAC: (2S)-2-methyl-4-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione.
Chemical Property Profile of (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Property Insights of (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
The XLogP value of 2.8504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione. The TPSA of 76.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione. Following Lipinski's Rule of Five, (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione 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
Frequently Asked Questions
What is the CAS number of (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione?
The CAS number of (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione is 957006-48-3.
What is the molecular formula of (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione?
The molecular formula of (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione is C23H28N4O3.
What is the molecular weight of (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione?
The molecular weight of (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione is 408.22 g/mol.
Where can I buy (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione?
You can request a quote for (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (11bS)-11b-methyl-2-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.