2-Oxiranecarboxylic acid, 3-methyl-3-octyl-
TL;DR: 2-Oxiranecarboxylic acid, 3-methyl-3-octyl- (CAS 65416-35-5) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-octyloxirane-2-carboxylic acid
Also Known As: 3-Methyl-3-octyloxirane-2-carboxylic acid, 3-Methyl-3-octanyloxiranecarboxylic acid, Oxiranecarboxylic acid, 3-methyl-3-octyl-, 2-Oxiranecarboxylic acid, 3-methyl-3-octyl-, 3-methyl-3-octyloxirane-2-carboxylicacid
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 65416-35-5 |
|---|---|
| SMILES | CCCCCCCCC1(C(O1)C(=O)O)C |
| InChIKey | GLHDTOZHBNFVQW-UHFFFAOYSA-N |
Product Overview
2-Oxiranecarboxylic acid, 3-methyl-3-octyl- (CAS 65416-35-5), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: 3-methyl-3-octyloxirane-2-carboxylic acid.
Chemical Property Profile of 2-Oxiranecarboxylic acid, 3-methyl-3-octyl-
Property Insights of 2-Oxiranecarboxylic acid, 3-methyl-3-octyl-
The XLogP value of 3.7 indicates that 2-Oxiranecarboxylic acid, 3-methyl-3-octyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Oxiranecarboxylic acid, 3-methyl-3-octyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxiranecarboxylic acid, 3-methyl-3-octyl- 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 2-Oxiranecarboxylic acid, 3-methyl-3-octyl-?
The CAS number of 2-Oxiranecarboxylic acid, 3-methyl-3-octyl- is 65416-35-5.
What is the molecular formula of 2-Oxiranecarboxylic acid, 3-methyl-3-octyl-?
The molecular formula of 2-Oxiranecarboxylic acid, 3-methyl-3-octyl- is C12H22O3.
What is the molecular weight of 2-Oxiranecarboxylic acid, 3-methyl-3-octyl-?
The molecular weight of 2-Oxiranecarboxylic acid, 3-methyl-3-octyl- is 214.16 g/mol.
Where can I buy 2-Oxiranecarboxylic acid, 3-methyl-3-octyl-?
You can request a quote for 2-Oxiranecarboxylic acid, 3-methyl-3-octyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxiranecarboxylic acid, 3-methyl-3-octyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxiranecarboxylic acid, 3-methyl-3-octyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.