3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane)
TL;DR: 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane) (CAS 54714-66-8) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(3,4-dimethoxyphenyl)spiro[3H-indene-2,2'-oxirane]-1-one
Also Known As: 3'-(3,4-Dimethoxyphenyl)spiro[indene-2,2'-oxiran]-1(3H)-one, 3'-(3,4-dimethoxyphenyl)spiro[3H-indene-2,2'-oxirane]-1-one, 3'-(3,4-DIMETHOXYPHENYL)-1-OXOSPIRO(INDAN-2,2'-OXIRANE), 3'-(3,4-dimethoxyphenyl)-1,3-dihydrospiro[indene-2,2'-oxiran]-1-one, 664-888-7
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 54714-66-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3(O2)CC4=CC=CC=C4C3=O)OC |
| InChIKey | JCENLDBODYOIBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane) (CAS 54714-66-8), with molecular formula C18H16O4 and molecular weight 296.10 g/mol. IUPAC: 3'-(3,4-dimethoxyphenyl)spiro[3H-indene-2,2'-oxirane]-1-one.
Chemical Property Profile of 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane)
Property Insights of 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane). With a topological polar surface area (TPSA) of 48.1 Ų, 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane) 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 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane)?
The CAS number of 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane) is 54714-66-8.
What is the molecular formula of 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane)?
The molecular formula of 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane) is C18H16O4.
What is the molecular weight of 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane)?
The molecular weight of 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane) is 296.10 g/mol.
Where can I buy 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane)?
You can request a quote for 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane)?
Yes, KEHONG BIO provides custom synthesis services for 3'-(3,4-Dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.