O1-Butyl O2-propyl benzene-1,2-dicarboxylate
TL;DR: O1-Butyl O2-propyl benzene-1,2-dicarboxylate (CAS 102148-87-8) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.13617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-O-butyl 1-O-propyl benzene-1,2-dicarboxylate
Also Known As: Butyl Propyl Benzene-1,2-dicarboxylate, O1-Butyl O2-propyl benzene-1,2-dicarboxylate, Phthalic acid 1-propyl 2-butyl ester, 1,2-Benzenedicarboxylicacid, 1-butyl 2-propyl ester, 1-butyl 2-propyl benzene-1,2-dicarboxylate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.13617 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 264.13617 Da |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCC |
| InChIKey | AJMYPCAFZCFWGG-UHFFFAOYSA-N |
Chemical Property Profile of O1-Butyl O2-propyl benzene-1,2-dicarboxylate
Property Insights of O1-Butyl O2-propyl benzene-1,2-dicarboxylate
The XLogP value of 4.4 indicates that O1-Butyl O2-propyl benzene-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, O1-Butyl O2-propyl benzene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O1-Butyl O2-propyl benzene-1,2-dicarboxylate has 0 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 O1-Butyl O2-propyl benzene-1,2-dicarboxylate?
The CAS number of O1-Butyl O2-propyl benzene-1,2-dicarboxylate is 102148-87-8.
What is the molecular formula of O1-Butyl O2-propyl benzene-1,2-dicarboxylate?
The molecular formula of O1-Butyl O2-propyl benzene-1,2-dicarboxylate is C15H20O4.
What is the molecular weight of O1-Butyl O2-propyl benzene-1,2-dicarboxylate?
The molecular weight of O1-Butyl O2-propyl benzene-1,2-dicarboxylate is 264.13617 g/mol.
Where can I buy O1-Butyl O2-propyl benzene-1,2-dicarboxylate?
You can request a quote for O1-Butyl O2-propyl benzene-1,2-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O1-Butyl O2-propyl benzene-1,2-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for O1-Butyl O2-propyl benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.