Butyl benzyl benzene-1,3-dicarboxylate
TL;DR: Butyl benzyl benzene-1,3-dicarboxylate (CAS 87256-89-1) is a chemical compound with molecular formula C19H20O4 and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-benzyl 1-O-butyl benzene-1,3-dicarboxylate
Also Known As: Benzyl butyl benzene-1,3-dicarboxylate, BUTYL BENZYL BENZENE-1,3-DICARBOXYLATE, 1-O-benzyl 3-O-butyl benzene-1,3-dicarboxylate, 3-O-benzyl 1-O-butyl benzene-1,3-dicarboxylate
| Molecular Formula | C19H20O4 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 312.13617 |
| Heavy Atoms | 23 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 87256-89-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCC2=CC=CC=C2 |
| InChIKey | QDKAUHONDCKMOU-UHFFFAOYSA-N |
Product Overview
Butyl benzyl benzene-1,3-dicarboxylate (CAS 87256-89-1), with molecular formula C19H20O4 and molecular weight 312.14 g/mol. IUPAC: 3-O-benzyl 1-O-butyl benzene-1,3-dicarboxylate.
Chemical Property Profile of Butyl benzyl benzene-1,3-dicarboxylate
Property Insights of Butyl benzyl benzene-1,3-dicarboxylate
The XLogP value of 4.9 indicates that Butyl benzyl benzene-1,3-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, Butyl benzyl benzene-1,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl benzyl benzene-1,3-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
Frequently Asked Questions
What is the CAS number of Butyl benzyl benzene-1,3-dicarboxylate?
The CAS number of Butyl benzyl benzene-1,3-dicarboxylate is 87256-89-1.
What is the molecular formula of Butyl benzyl benzene-1,3-dicarboxylate?
The molecular formula of Butyl benzyl benzene-1,3-dicarboxylate is C19H20O4.
What is the molecular weight of Butyl benzyl benzene-1,3-dicarboxylate?
The molecular weight of Butyl benzyl benzene-1,3-dicarboxylate is 312.14 g/mol.
Where can I buy Butyl benzyl benzene-1,3-dicarboxylate?
You can request a quote for Butyl benzyl benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl benzyl benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl benzyl benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.