![4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid structure](/static/products/714/714940-97-3.png)
4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid
TL;DR: 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid (CAS 714940-97-3) is a chemical compound with molecular formula C29H22N2O3S and molecular weight 478.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[11-(4-methylphenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]benzoic acid
Also Known As: 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid, (Z)-4-((9-oxo-7-(p-tolyl)-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)benzoic acid
| Molecular Formula | C29H22N2O3S |
|---|---|
| Molecular Weight | 478.14 g/mol |
| LogP | 4.32532 |
| Topological Polar Surface Area | 71.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.1351 |
| Heavy Atoms | 35 |
| Complexity | 1690.5697 |
Chemical Identifiers
| CAS Number | 714940-97-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)/C(=C/C6=CC=C(C=C6)C(=O)O)/S5 |
Product Overview
4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid (CAS 714940-97-3), with molecular formula C29H22N2O3S and molecular weight 478.14 g/mol. IUPAC: 4-[(Z)-[11-(4-methylphenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]benzoic acid.
Chemical Property Profile of 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid
Property Insights of 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid
The XLogP value of 4.32532 indicates that 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid 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 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid?
The CAS number of 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid is 714940-97-3.
What is the molecular formula of 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid?
The molecular formula of 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid is C29H22N2O3S.
What is the molecular weight of 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid?
The molecular weight of 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid is 478.14 g/mol.
Where can I buy 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid?
You can request a quote for 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}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-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{(Z)-[7-(4-methylphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.