RefChem:1098972
TL;DR: RefChem:1098972 (CAS 123245-21-6) is a chemical compound with molecular formula C24H27NO4S and molecular weight 425.16608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-but-2-enedioic acid;1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine]
Also Known As: (+-)-1'-Methyl-3-(2-methylphenyl)spiro(benzo(b)thiophene-2(3H),4'-piperidine) maleate, Spiro(benzo(b)thiophene-2(3H),4'-piperidine), 1'-methyl-3-(2-methylphenyl)-, (+-)-, (Z)-2-butenedioate (1:1), (Z)-but-2-enedioic acid; 1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine]
Technical Specifications
| Molecular Formula | C24H27NO4S |
| Molecular Weight | 425.16608 g/mol |
| XLogP | 4.40882 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.16608 Da |
| Heavy Atoms | 30 |
| Complexity | 506.0 |
| SMILES | CC1=CC=CC=C1C2C3=CC=CC=C3SC24CCN(CC4)C.C(=C\C(=O)O)\C(=O)O |
| InChIKey | BKXLETCZCCUBJJ-BTJKTKAUSA-N |
Chemical Property Profile of RefChem:1098972
Property Insights of RefChem:1098972
The XLogP value of 4.40882 indicates that RefChem:1098972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098972. Following Lipinski's Rule of Five, RefChem:1098972 has 2 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 RefChem:1098972?
The CAS number of RefChem:1098972 is 123245-21-6.
What is the molecular formula of RefChem:1098972?
The molecular formula of RefChem:1098972 is C24H27NO4S.
What is the molecular weight of RefChem:1098972?
The molecular weight of RefChem:1098972 is 425.16608 g/mol.
Where can I buy RefChem:1098972?
You can request a quote for RefChem:1098972 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1098972?
Yes, CoreyChem provides custom synthesis services for RefChem:1098972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.