beta-Isatropic acid
TL;DR: beta-Isatropic acid (CAS 116724-31-3) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,4S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylic acid
Also Known As: beta-Isatropic acid, Isatropic acid, cis-(-)-, ISATROPIC ACID [MI], Isatropic acid, cis-(+/-)-, beta-Isatropic acid, (-)-
Technical Specifications
| Molecular Formula | C18H16O4 |
| Molecular Weight | 296.10486 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.10486 Da |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
| SMILES | C1C[C@@](C2=CC=CC=C2[C@H]1C(=O)O)(C3=CC=CC=C3)C(=O)O |
| InChIKey | LRUSLZFPYBAMCI-KSSFIOAISA-N |
Chemical Property Profile of beta-Isatropic acid
Property Insights of beta-Isatropic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Isatropic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Isatropic acid. Following Lipinski's Rule of Five, beta-Isatropic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of beta-Isatropic acid?
The CAS number of beta-Isatropic acid is 116724-31-3.
What is the molecular formula of beta-Isatropic acid?
The molecular formula of beta-Isatropic acid is C18H16O4.
What is the molecular weight of beta-Isatropic acid?
The molecular weight of beta-Isatropic acid is 296.10486 g/mol.
Where can I buy beta-Isatropic acid?
You can request a quote for beta-Isatropic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Isatropic acid?
Yes, CoreyChem provides custom synthesis services for beta-Isatropic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.