3,3-Dimethyloxirane-2-carboxylic acid
TL;DR: 3,3-Dimethyloxirane-2-carboxylic acid (CAS 4374-53-2) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyloxirane-2-carboxylic acid
Also Known As: 3,3-dimethyloxirane-2-carboxylic acid, dimethylglycidic acid, dimethyloxirane-2-carboxylic acid, 3,3-dimethyl-oxirane-2-carboxylic acid, 3,3-Dimethyloxirane-2-carboxylicAcid
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 4374-53-2 |
|---|---|
| SMILES | CC1(C(O1)C(=O)O)C |
| InChIKey | XAFLWKZCTIXPPU-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyloxirane-2-carboxylic acid (CAS 4374-53-2), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: 3,3-dimethyloxirane-2-carboxylic acid.
Chemical Property Profile of 3,3-Dimethyloxirane-2-carboxylic acid
Property Insights of 3,3-Dimethyloxirane-2-carboxylic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyloxirane-2-carboxylic acid. With a topological polar surface area (TPSA) of 49.8 Ų, 3,3-Dimethyloxirane-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyloxirane-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 3,3-Dimethyloxirane-2-carboxylic acid?
The CAS number of 3,3-Dimethyloxirane-2-carboxylic acid is 4374-53-2.
What is the molecular formula of 3,3-Dimethyloxirane-2-carboxylic acid?
The molecular formula of 3,3-Dimethyloxirane-2-carboxylic acid is C5H8O3.
What is the molecular weight of 3,3-Dimethyloxirane-2-carboxylic acid?
The molecular weight of 3,3-Dimethyloxirane-2-carboxylic acid is 116.05 g/mol.
Where can I buy 3,3-Dimethyloxirane-2-carboxylic acid?
You can request a quote for 3,3-Dimethyloxirane-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 3,3-Dimethyloxirane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyloxirane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.