2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate
TL;DR: 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate (CAS 431072-39-8) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-4-yl) 3,4-dimethylbenzoate
Also Known As: 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate, (2-oxochromen-4-yl) 3,4-dimethylbenzoate, AO-365/15404134
| Molecular Formula | C18H14O4 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.62904 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.0892 |
| Heavy Atoms | 22 |
| Complexity | 921.7636 |
Chemical Identifiers
| CAS Number | 431072-39-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC2=CC(=O)OC3=CC=CC=C32)C |
Product Overview
2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate (CAS 431072-39-8), with molecular formula C18H14O4 and molecular weight 294.09 g/mol. IUPAC: (2-oxochromen-4-yl) 3,4-dimethylbenzoate.
Chemical Property Profile of 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate
Property Insights of 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate
The XLogP value of 3.62904 indicates that 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate 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 3,4-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate 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 3,4-dimethylbenzoate?
The CAS number of 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate is 431072-39-8.
What is the molecular formula of 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate?
The molecular formula of 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate is C18H14O4.
What is the molecular weight of 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate?
The molecular weight of 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate is 294.09 g/mol.
Where can I buy 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate?
You can request a quote for 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate 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 3,4-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2H-chromen-4-yl 3,4-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.