BAS 00866891
TL;DR: BAS 00866891 (CAS 142592-13-0) is a chemical compound with molecular formula C18H22O6 and molecular weight 334.14163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 4-hydroxy-4-methyl-2-(4-methylphenyl)-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: BAS 00866891, dimethyl 4-hydroxy-4-methyl-2-(4-methylphenyl)-6-oxocyclohexane-1,3-dicarboxylate, AB00096970-01, AB00096970-04, dimethyl 4-hydroxy-4-methyl-6-oxo-2-(p-tolyl)cyclohexane-1,3-dicarboxylate
Technical Specifications
| Molecular Formula | C18H22O6 |
| Molecular Weight | 334.14163 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.14163 Da |
| Heavy Atoms | 24 |
| Complexity | 508.0 |
| SMILES | CC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OC)(C)O)C(=O)OC |
| InChIKey | QYLMZOSCRKUEBH-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00866891
Property Insights of BAS 00866891
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00866891. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866891. Following Lipinski's Rule of Five, BAS 00866891 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 00866891?
The CAS number of BAS 00866891 is 142592-13-0.
What is the molecular formula of BAS 00866891?
The molecular formula of BAS 00866891 is C18H22O6.
What is the molecular weight of BAS 00866891?
The molecular weight of BAS 00866891 is 334.14163 g/mol.
Where can I buy BAS 00866891?
You can request a quote for BAS 00866891 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00866891?
Yes, CoreyChem provides custom synthesis services for BAS 00866891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.