![Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate structure](/static/products/956/956972-46-6.png)
Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate
TL;DR: Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate (CAS 956972-46-6) is a chemical compound with molecular formula C22H19N3O4 and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(10-methyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl)benzoate
Also Known As: Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate, methyl 2-(5-methyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate
| Molecular Formula | C22H19N3O4 |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 3.409 |
| Topological Polar Surface Area | 82.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.13754 |
| Heavy Atoms | 29 |
| Complexity | 1181.769 |
Chemical Identifiers
| CAS Number | 956972-46-6 |
|---|---|
| SMILES | CC1C2=C(CC3N1C(=O)N(C3=O)C4=CC=CC=C4C(=O)OC)C5=CC=CC=C5N2 |
Product Overview
Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate (CAS 956972-46-6), with molecular formula C22H19N3O4 and molecular weight 389.14 g/mol. IUPAC: methyl 2-(10-methyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl)benzoate.
Chemical Property Profile of Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate
Property Insights of Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate
The XLogP value of 3.409 indicates that Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate. Following Lipinski's Rule of Five, Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate 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 Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate?
The CAS number of Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate is 956972-46-6.
What is the molecular formula of Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate?
The molecular formula of Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate is C22H19N3O4.
What is the molecular weight of Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate?
The molecular weight of Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate is 389.14 g/mol.
Where can I buy Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate?
You can request a quote for Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((11aS)-5-methyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.