TL;DR: methyl 4-(9-(5-methylisoxazol-3-yl)-8,11-dioxo-8,9,10,11-tetrahydrobenzo[5,6]chromeno[2,3-c]pyrrol-10-yl)benzoate (CAS 900292-37-7) is a chemical compound with molecular formula C27H18N2O6 and molecular weight 466.1165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[14-(5-methyl-1,2-oxazol-3-yl)-13,17-dioxo-11-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-yl]benzoate
Also Known As: methyl 4-(9-(5-methylisoxazol-3-yl)-8,11-dioxo-8,9,10,11-tetrahydrobenzo[5,6]chromeno[2,3-c]pyrrol-10-yl)benzoate, methyl 4-[9-(5-methyl-1,2-oxazol-3-yl)-8,11-dioxo-8,9,10,11-tetrahydrobenzo[5,6]chromeno[2,3-c]pyrrol-10-yl]benzoate
| Molecular Formula | C27H18N2O6 |
| Molecular Weight | 466.1165 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.1165 Da |
| Heavy Atoms | 35 |
| Complexity | 925.0 |
| SMILES | CC1=CC(=NO1)N2C(C3=C(C2=O)OC4=C(C3=O)C5=CC=CC=C5C=C4)C6=CC=C(C=C6)C(=O)OC |
| InChIKey | QEBPAJDWHFBMPW-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that methyl 4-(9-(5-methylisoxazol-3-yl)-8,11-dioxo-8,9,10,11-tetrahydrobenzo[5,6]chromeno[2,3-c]pyrrol-10-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(9-(5-methylisoxazol-3-yl)-8,11-dioxo-8,9,10,11-tetrahydrobenzo[5,6]chromeno[2,3-c]pyrrol-10-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(9-(5-methylisoxazol-3-yl)-8,11-dioxo-8,9,10,11-tetrahydrobenzo[5,6]chromeno[2,3-c]pyrrol-10-yl)benzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 4-(9-(5-methylisoxazol-3-yl)-8,11-dioxo-8,9,10,11-tetrahydrobenzo[5,6]chromeno[2,3-c]pyrrol-10-yl)benzoate is 900292-37-7.
The molecular formula of methyl 4-(9-(5-methylisoxazol-3-yl)-8,11-dioxo-8,9,10,11-tetrahydrobenzo[5,6]chromeno[2,3-c]pyrrol-10-yl)benzoate is C27H18N2O6.
The molecular weight of methyl 4-(9-(5-methylisoxazol-3-yl)-8,11-dioxo-8,9,10,11-tetrahydrobenzo[5,6]chromeno[2,3-c]pyrrol-10-yl)benzoate is 466.1165 g/mol.
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