TL;DR: C27H25ClN2O6 (CAS 1023233-55-7) is a chemical compound with molecular formula C27H25ClN2O6 and molecular weight 508.1401 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 2-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C27H25ClN2O6 |
| Molecular Weight | 508.1401 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.1401 Da |
| Heavy Atoms | 36 |
| Complexity | 784.0 |
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC(=C(C=C5)O)OC |
| InChIKey | MSCMGAYIEHZOGR-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that C27H25ClN2O6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H25ClN2O6. Following Lipinski's Rule of Five, C27H25ClN2O6 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C27H25ClN2O6 is 1023233-55-7.
The molecular formula of C27H25ClN2O6 is C27H25ClN2O6.
The molecular weight of C27H25ClN2O6 is 508.1401 g/mol.
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