2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate
TL;DR: 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate (CAS 896597-83-4) is a chemical compound with molecular formula C23H24O5 and molecular weight 380.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-4-yl) 4-heptoxybenzoate
Also Known As: (2-oxochromen-4-yl) 4-heptoxybenzoate, 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate
| Molecular Formula | C23H24O5 |
|---|---|
| Molecular Weight | 380.16 g/mol |
| LogP | 5.3614 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 380.16238 |
| Heavy Atoms | 28 |
| Complexity | 972.1993 |
Chemical Identifiers
| CAS Number | 896597-83-4 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)OC3=CC=CC=C32 |
Product Overview
2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate (CAS 896597-83-4), with molecular formula C23H24O5 and molecular weight 380.16 g/mol. IUPAC: (2-oxochromen-4-yl) 4-heptoxybenzoate.
Chemical Property Profile of 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate
Property Insights of 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate
The XLogP value of 5.3614 indicates that 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate. Following Lipinski's Rule of Five, 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate?
The CAS number of 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate is 896597-83-4.
What is the molecular formula of 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate?
The molecular formula of 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate is C23H24O5.
What is the molecular weight of 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate?
The molecular weight of 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate is 380.16 g/mol.
Where can I buy 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate?
You can request a quote for 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate 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-(heptyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2H-chromen-4-yl 4-(heptyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.