3-(2-Benzoxazolyl)umbelliferyl acetate
TL;DR: 3-(2-Benzoxazolyl)umbelliferyl acetate (CAS 97004-78-9) is a chemical compound with molecular formula C18H11NO5 and molecular weight 321.06 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] acetate
Also Known As: 3-(2-Benzoxazolyl)umbelliferyl acetate, 3- UMBELLIFERYLACETATE, 7-Acetoxy-3-(2-benzoxazolyl)coumarin, (R)-1,5-Dimethylpiperazin-2-one, 3-(2-BENZOXAZOLYL)UMBELLIFERYLACETATE
| Molecular Formula | C18H11NO5 |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 3.5265 |
| Topological Polar Surface Area | 82.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.06372 |
| Heavy Atoms | 24 |
| Complexity | 1106.0298 |
Chemical Identifiers
| CAS Number | 97004-78-9 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3 |
Product Overview
3-(2-Benzoxazolyl)umbelliferyl acetate (CAS 97004-78-9), with molecular formula C18H11NO5 and molecular weight 321.06 g/mol. IUPAC: [3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-(2-Benzoxazolyl)umbelliferyl acetate
Property Insights of 3-(2-Benzoxazolyl)umbelliferyl acetate
The XLogP value of 3.5265 indicates that 3-(2-Benzoxazolyl)umbelliferyl acetate 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)umbelliferyl acetate. Following Lipinski's Rule of Five, 3-(2-Benzoxazolyl)umbelliferyl acetate has 0 hydrogen bond donor(s) and 6 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 3-(2-Benzoxazolyl)umbelliferyl acetate?
The CAS number of 3-(2-Benzoxazolyl)umbelliferyl acetate is 97004-78-9.
What is the molecular formula of 3-(2-Benzoxazolyl)umbelliferyl acetate?
The molecular formula of 3-(2-Benzoxazolyl)umbelliferyl acetate is C18H11NO5.
What is the molecular weight of 3-(2-Benzoxazolyl)umbelliferyl acetate?
The molecular weight of 3-(2-Benzoxazolyl)umbelliferyl acetate is 321.06 g/mol.
Where can I buy 3-(2-Benzoxazolyl)umbelliferyl acetate?
You can request a quote for 3-(2-Benzoxazolyl)umbelliferyl acetate 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)umbelliferyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzoxazolyl)umbelliferyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.