Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid
TL;DR: Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid (CAS 50836-02-7) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylacetic acid
Also Known As: Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid, Spiro[1,3-benzodioxole-2,1'-cyclohexane]-2'-acetic acid, (Spiro[[1,3]benzodioxole-2,1'-cyclohexan]-2'-yl)acetic acid, (Spiro[1,3-benzodioxole-2,1'-cyclohexan]-2'-yl)acetic acid, 2-spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylacetic acid
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.819 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 443.61673 |
Chemical Identifiers
| CAS Number | 50836-02-7 |
|---|---|
| SMILES | C1CCC2(C(C1)CC(=O)O)OC3=CC=CC=C3O2 |
Product Overview
Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid (CAS 50836-02-7), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: 2-spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylacetic acid.
Chemical Property Profile of Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid
Property Insights of Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid
The XLogP value of 2.819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid. With a topological polar surface area (TPSA) of 55.76 Ų, Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid 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 Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid?
The CAS number of Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid is 50836-02-7.
What is the molecular formula of Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid?
The molecular formula of Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid is C14H16O4.
What is the molecular weight of Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid?
The molecular weight of Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid is 248.10 g/mol.
Where can I buy Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid?
You can request a quote for Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Spiro(cyclohexane-1,2'-benzodioxole)-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.