![2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid structure](/static/products/956/956439-74-0.png)
2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid
TL;DR: 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid (CAS 956439-74-0) 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.
2-(10,10-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl)benzoic acid
Also Known As: 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid, 2-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid, 2-[(11aS)-5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid
| Molecular Formula | C22H19N3O4 |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 3.4947 |
| Topological Polar Surface Area | 93.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.13754 |
| Heavy Atoms | 29 |
| Complexity | 1209.7427 |
Chemical Identifiers
| CAS Number | 956439-74-0 |
|---|---|
| SMILES | CC1(C2=C(CC3N1C(=O)N(C3=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5N2)C |
Product Overview
2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid (CAS 956439-74-0), with molecular formula C22H19N3O4 and molecular weight 389.14 g/mol. IUPAC: 2-(10,10-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl)benzoic acid.
Chemical Property Profile of 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid
Property Insights of 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid
The XLogP value of 3.4947 indicates that 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid. Following Lipinski's Rule of Five, 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid has 2 hydrogen bond donor(s) and 3 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 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid?
The CAS number of 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid is 956439-74-0.
What is the molecular formula of 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid?
The molecular formula of 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid is C22H19N3O4.
What is the molecular weight of 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid?
The molecular weight of 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid is 389.14 g/mol.
Where can I buy 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid?
You can request a quote for 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5,5-dimethyl-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.