![(11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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/956/956045-24-2.png)
(11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 956045-24-2) is a chemical compound with molecular formula C23H21N3O4 and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(15S)-13-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-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 | C23H21N3O4 |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 3.5677 |
| Topological Polar Surface Area | 74.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 403.1532 |
| Heavy Atoms | 30 |
| Complexity | 1228.4113 |
Chemical Identifiers
| CAS Number | 956045-24-2 |
|---|---|
| SMILES | CC1(C2=C(C[C@@H]3N1C(=O)N(C3=O)C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6N2)C |
Product Overview
(11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 956045-24-2), with molecular formula C23H21N3O4 and molecular weight 403.15 g/mol. IUPAC: (15S)-13-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 3.5677 indicates that (11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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. The TPSA of 74.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione. Following Lipinski's Rule of Five, (11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 4 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is 956045-24-2.
What is the molecular formula of (11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is C23H21N3O4.
What is the molecular weight of (11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is 403.15 g/mol.
Where can I buy (11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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.