![(11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione structure](/static/products/956/956044-70-5.png)
(11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 956044-70-5) is a chemical compound with molecular formula C21H17N3O4 and molecular weight 375.12 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)-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)-5,6,11,11a-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)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
| Molecular Formula | C21H17N3O4 |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 2.8326 |
| Topological Polar Surface Area | 74.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.12192 |
| Heavy Atoms | 28 |
| Complexity | 1151.7583 |
Chemical Identifiers
| CAS Number | 956044-70-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=O)[C@@H]4CC5=C(CN4C3=O)NC6=CC=CC=C56 |
Product Overview
(11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 956044-70-5), with molecular formula C21H17N3O4 and molecular weight 375.12 g/mol. IUPAC: (15S)-13-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-5,6,11,11a-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)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
The XLogP value of 2.8326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione. 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)-5,6,11,11a-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)-5,6,11,11a-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)-5,6,11,11a-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)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is 956044-70-5.
What is the molecular formula of (11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is C21H17N3O4.
What is the molecular weight of (11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is 375.12 g/mol.
Where can I buy (11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-5,6,11,11a-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)-5,6,11,11a-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)-5,6,11,11a-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.