TL;DR: 9-(4-chlorobenzyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one (CAS 862243-87-6) is a chemical compound with molecular formula C22H20ClNO3 and molecular weight 381.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(4-chlorophenyl)methyl]-2-methyl-4,17-dioxa-6-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11(15)-tetraen-16-one
Also Known As: 9-(4-chlorobenzyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one, 9-(4-chlorobenzyl)-6-methyl-2,3,9,10-tetrahydro-1H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(8H)-one
| Molecular Formula | C22H20ClNO3 |
| Molecular Weight | 381.11316 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.11316 Da |
| Heavy Atoms | 27 |
| Complexity | 627.0 |
| SMILES | CC1=C2C(=CC3=C1OC(=O)C4=C3CCC4)CN(CO2)CC5=CC=C(C=C5)Cl |
| InChIKey | OANLOIJLKWXYBA-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 9-(4-chlorobenzyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 9-(4-chlorobenzyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(4-chlorobenzyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9-(4-chlorobenzyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one is 862243-87-6.
The molecular formula of 9-(4-chlorobenzyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one is C22H20ClNO3.
The molecular weight of 9-(4-chlorobenzyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one is 381.11316 g/mol.
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