![(11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione structure](/static/products/956/956683-80-0.png)
(11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
TL;DR: (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 956683-80-0) is a chemical compound with molecular formula C21H18ClN3O2 and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(15S)-13-(3-chlorophenyl)-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
Also Known As: (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione, (S)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
| Molecular Formula | C21H18ClN3O2 |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 4.4499 |
| Topological Polar Surface Area | 56.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.10876 |
| Heavy Atoms | 27 |
| Complexity | 1117.5671 |
Chemical Identifiers
| CAS Number | 956683-80-0 |
|---|---|
| SMILES | CC1(C2=C(C[C@@H]3N1C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC=CC=C5N2)C |
Product Overview
(11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 956683-80-0), with molecular formula C21H18ClN3O2 and molecular weight 379.11 g/mol. IUPAC: (15S)-13-(3-chlorophenyl)-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione.
Chemical Property Profile of (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Property Insights of (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
The XLogP value of 4.4499 indicates that (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]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, (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]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, (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]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 (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione?
The CAS number of (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is 956683-80-0.
What is the molecular formula of (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione?
The molecular formula of (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is C21H18ClN3O2.
What is the molecular weight of (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione?
The molecular weight of (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is 379.11 g/mol.
Where can I buy (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione?
You can request a quote for (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]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 (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.