![(11bS)-11b-methyl-2-(2-phenylethyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione structure](/static/products/956/956987-85-2.png)
(11bS)-11b-methyl-2-(2-phenylethyl)-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-(2-phenylethyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 956987-85-2) is a chemical compound with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-methyl-4-(2-phenylethyl)-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-(2-phenylethyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione, (S)-11b-methyl-2-phenethyl-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
| Molecular Formula | C22H21N3O2 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 3.4461 |
| Topological Polar Surface Area | 56.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.1634 |
| Heavy Atoms | 27 |
| Complexity | 1055.865 |
Chemical Identifiers
| CAS Number | 956987-85-2 |
|---|---|
| SMILES | C[C@@]12C3=C(CCN1C(=O)N(C2=O)CCC4=CC=CC=C4)C5=CC=CC=C5N3 |
Product Overview
(11bS)-11b-methyl-2-(2-phenylethyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 956987-85-2), with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol. IUPAC: (2S)-2-methyl-4-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
The XLogP value of 3.4461 indicates that (11bS)-11b-methyl-2-(2-phenylethyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.41 Ų, (11bS)-11b-methyl-2-(2-phenylethyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (11bS)-11b-methyl-2-(2-phenylethyl)-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 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 (11bS)-11b-methyl-2-(2-phenylethyl)-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-(2-phenylethyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione is 956987-85-2.
What is the molecular formula of (11bS)-11b-methyl-2-(2-phenylethyl)-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-(2-phenylethyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione is C22H21N3O2.
What is the molecular weight of (11bS)-11b-methyl-2-(2-phenylethyl)-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-(2-phenylethyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione is 359.16 g/mol.
Where can I buy (11bS)-11b-methyl-2-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-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.