莱乙酸
TL;DR: 莱乙酸 (CAS 4408-60-0) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
莱乙酸
2-(2,4,6-trimethylphenyl)acetic acid
Also Known As: Mesitylacetic acid, 2-Mesitylacetic acid, 2,4,6-Trimethylphenylacetic acid, Mesityacetiacid, Mesityleneacetic Acid
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 4408-60-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CC(=O)O)C |
| InChIKey | CQWMQAKKAHTCSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
莱乙酸 (CAS 4408-60-0), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-(2,4,6-trimethylphenyl)acetic acid.
Chemical Property Profile of 莱乙酸
Property Insights of 莱乙酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 莱乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 莱乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 莱乙酸 has 1 hydrogen bond donor(s) and 2 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 莱乙酸?
The CAS number of 莱乙酸 is 4408-60-0.
What is the molecular formula of 莱乙酸?
The molecular formula of 莱乙酸 is C11H14O2.
What is the molecular weight of 莱乙酸?
The molecular weight of 莱乙酸 is 178.10 g/mol.
Where can I buy 莱乙酸?
You can request a quote for 莱乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 莱乙酸?
Yes, KEHONG BIO provides custom synthesis services for 莱乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.