Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid
TL;DR: Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid (CAS 50836-03-8) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[1,3-benzodioxole-2,2'-cyclopentane]-1'-carboxylic acid
Also Known As: 3-isocyanatopropionic acid methyl ester, Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid, Spiro[1,3-benzodioxole-2,1'-cyclopentane]-2'-carboxylic acid, spiro[1,3-benzodioxole-2,2'-cyclopentane]-1'-carboxylic acid, Spiro[[1,3]benzodioxole-2,1'-cyclopentane]-2'-carboxylic acid
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.0388 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 415.39984 |
Chemical Identifiers
| CAS Number | 50836-03-8 |
|---|---|
| SMILES | C1CC(C2(C1)OC3=CC=CC=C3O2)C(=O)O |
Product Overview
Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid (CAS 50836-03-8), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: spiro[1,3-benzodioxole-2,2'-cyclopentane]-1'-carboxylic acid.
Chemical Property Profile of Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid
Property Insights of Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid
The XLogP value of 2.0388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid. With a topological polar surface area (TPSA) of 55.76 Ų, Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic 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(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid?
The CAS number of Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid is 50836-03-8.
What is the molecular formula of Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid?
The molecular formula of Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid is C12H12O4.
What is the molecular weight of Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid?
The molecular weight of Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid is 220.07 g/mol.
Where can I buy Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid?
You can request a quote for Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Spiro(cyclopentane-1,2'-benzodioxole)-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.