7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
TL;DR: 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one (CAS 362680-69-1) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7'-ethylspiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
Also Known As: ChemDiv3_004139, IDI1_022049, 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one, 12-ethylspiro[1,3-dioxolane-2,3'-indoline]-7-one, BRD-K73369287-001-01-8
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.4007 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 449.57715 |
Chemical Identifiers
| CAS Number | 362680-69-1 |
|---|---|
| SMILES | CCC1=C2C(=CC=C1)C3(C(=O)N2)OCCO3 |
Product Overview
7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one (CAS 362680-69-1), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 7'-ethylspiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.
Chemical Property Profile of 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
Property Insights of 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
The XLogP value of 1.4007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one. With a topological polar surface area (TPSA) of 47.56 Ų, 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one has 1 hydrogen bond donor(s) and 3 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 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one?
The CAS number of 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one is 362680-69-1.
What is the molecular formula of 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one?
The molecular formula of 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one is C12H13NO3.
What is the molecular weight of 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one?
The molecular weight of 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one is 219.09 g/mol.
Where can I buy 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one?
You can request a quote for 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7'-ethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.