3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate
TL;DR: 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate (CAS 862117-69-9) is a chemical compound with molecular formula C26H22O5 and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-2-oxochromen-4-yl) 4-propan-2-yloxybenzoate
Also Known As: 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate, 3-benzyl-2-oxo-2H-chromen-4-yl 4-isopropoxybenzoate, (3-benzyl-2-oxochromen-4-yl) 4-propan-2-yloxybenzoate
| Molecular Formula | C26H22O5 |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 5.3902 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.14673 |
| Heavy Atoms | 31 |
| Complexity | 1254.723 |
Chemical Identifiers
| CAS Number | 862117-69-9 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)OC2=C(C(=O)OC3=CC=CC=C32)CC4=CC=CC=C4 |
Product Overview
3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate (CAS 862117-69-9), with molecular formula C26H22O5 and molecular weight 414.15 g/mol. IUPAC: (3-benzyl-2-oxochromen-4-yl) 4-propan-2-yloxybenzoate.
Chemical Property Profile of 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate
Property Insights of 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate
The XLogP value of 5.3902 indicates that 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)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 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate. Following Lipinski's Rule of Five, 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)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 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate?
The CAS number of 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate is 862117-69-9.
What is the molecular formula of 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate?
The molecular formula of 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate is C26H22O5.
What is the molecular weight of 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate?
The molecular weight of 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate is 414.15 g/mol.
Where can I buy 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate?
You can request a quote for 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-oxo-2H-chromen-4-yl 4-(propan-2-yloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.