3,5-二甲苯氧基乙酸
TL;DR: 3,5-二甲苯氧基乙酸 (CAS 5406-14-4) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二甲苯氧基乙酸
2-(3,5-dimethylphenoxy)acetic acid
Also Known As: 2-(3,5-dimethylphenoxy)acetic acid, (3,5-dimethylphenoxy)acetic acid, 3,5-Xylyloxyacetic acid, (3,5-Dimethyl-phenoxy)-acetic acid, 3,5-DIMETHYLPHENOXYACETIC ACID
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 5406-14-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(=O)O)C |
| InChIKey | NIPZZANLNKBKIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二甲苯氧基乙酸 (CAS 5406-14-4), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 2-(3,5-dimethylphenoxy)acetic acid.
Chemical Property Profile of 3,5-二甲苯氧基乙酸
Property Insights of 3,5-二甲苯氧基乙酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二甲苯氧基乙酸. With a topological polar surface area (TPSA) of 46.5 Ų, 3,5-二甲苯氧基乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二甲苯氧基乙酸 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 3,5-二甲苯氧基乙酸?
The CAS number of 3,5-二甲苯氧基乙酸 is 5406-14-4.
What is the molecular formula of 3,5-二甲苯氧基乙酸?
The molecular formula of 3,5-二甲苯氧基乙酸 is C10H12O3.
What is the molecular weight of 3,5-二甲苯氧基乙酸?
The molecular weight of 3,5-二甲苯氧基乙酸 is 180.08 g/mol.
Where can I buy 3,5-二甲苯氧基乙酸?
You can request a quote for 3,5-二甲苯氧基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二甲苯氧基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲苯氧基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.