3-(2-Benzoxazolyl)-7-octanoyloxycoumarin
TL;DR: 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin (CAS 97004-80-3) is a chemical compound with molecular formula C24H23NO5 and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] octanoate
Also Known As: 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin, 3-(2-Benzoxazolyl)umbelliferyl octanoate, [3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] octanoate, 3-(Benzo[d]oxazol-2-yl)-2-oxo-2H-chromen-7-yl octanoate, (3-benzooxazol-2-yl-2-oxo-chromen-7-yl) Octanoate
| Molecular Formula | C24H23NO5 |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 5.8671 |
| Topological Polar Surface Area | 82.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.15762 |
| Heavy Atoms | 30 |
| Complexity | 1204.2961 |
Chemical Identifiers
| CAS Number | 97004-80-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3 |
Product Overview
3-(2-Benzoxazolyl)-7-octanoyloxycoumarin (CAS 97004-80-3), with molecular formula C24H23NO5 and molecular weight 405.16 g/mol. IUPAC: [3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] octanoate.
Chemical Property Profile of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin
Property Insights of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin
The XLogP value of 5.8671 indicates that 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin. Following Lipinski's Rule of Five, 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin?
The CAS number of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin is 97004-80-3.
What is the molecular formula of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin?
The molecular formula of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin is C24H23NO5.
What is the molecular weight of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin?
The molecular weight of 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin is 405.16 g/mol.
Where can I buy 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin?
You can request a quote for 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.