2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate
TL;DR: 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate (CAS 864834-75-3) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-4-yl) 4-tert-butylbenzoate
Also Known As: 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate, (2-oxochromen-4-yl) 4-tert-butylbenzoate, 2-oxo-2H-chromen-4-yl 4-(tert-butyl)benzoate
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 4.3097 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 943.7751 |
Chemical Identifiers
| CAS Number | 864834-75-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC(=O)OC3=CC=CC=C32 |
Product Overview
2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate (CAS 864834-75-3), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: (2-oxochromen-4-yl) 4-tert-butylbenzoate.
Chemical Property Profile of 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate
Property Insights of 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate
The XLogP value of 4.3097 indicates that 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate 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 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate?
The CAS number of 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate is 864834-75-3.
What is the molecular formula of 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate?
The molecular formula of 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate is C20H18O4.
What is the molecular weight of 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate?
The molecular weight of 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate is 322.12 g/mol.
Where can I buy 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate?
You can request a quote for 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2H-chromen-4-yl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.