![4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid structure](/static/products/956/956819-00-4.png)
4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid
TL;DR: 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid (CAS 956819-00-4) is a chemical compound with molecular formula C29H25N3O4 and molecular weight 479.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[12,14-dioxo-10-(4-propan-2-ylphenyl)-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: 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid, 4-[(15S)-12,14-dioxo-10-(4-propan-2-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]benzoic acid, 4-{1,3-dioxo-5-[4-(propan-2-yl)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl}benzoic acid
| Molecular Formula | C29H25N3O4 |
|---|---|
| Molecular Weight | 479.18 g/mol |
| LogP | 5.4724 |
| Topological Polar Surface Area | 93.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.1845 |
| Heavy Atoms | 36 |
| Complexity | 1518.6727 |
Chemical Identifiers
| CAS Number | 956819-00-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C3=C(CC4N2C(=O)N(C4=O)C5=CC=C(C=C5)C(=O)O)C6=CC=CC=C6N3 |
Product Overview
4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid (CAS 956819-00-4), with molecular formula C29H25N3O4 and molecular weight 479.18 g/mol. IUPAC: 4-[12,14-dioxo-10-(4-propan-2-ylphenyl)-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 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid
Property Insights of 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid
The XLogP value of 5.4724 indicates that 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-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 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid. Following Lipinski's Rule of Five, 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid?
The CAS number of 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid is 956819-00-4.
What is the molecular formula of 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid?
The molecular formula of 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid is C29H25N3O4.
What is the molecular weight of 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid?
The molecular weight of 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid is 479.18 g/mol.
Where can I buy 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid?
You can request a quote for 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-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 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((11AS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.