3,5-二甲基对茴香酸
TL;DR: 3,5-二甲基对茴香酸 (CAS 21553-46-8) 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.
3,5-二甲基对茴香酸
4-methoxy-3,5-dimethylbenzoic acid
Also Known As: 3,5-Dimethyl-4-methoxybenzoic acid, 3,5-Dimethyl-p-anisic acid, 4-methoxy-3,5-dimethylbenzoic acid, 3,5-Dimethyl anisic acid, Benzoic acid, 4-methoxy-3,5-dimethyl-
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 21553-46-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC)C)C(=O)O |
| InChIKey | WXVQURJGDUNJCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二甲基对茴香酸 (CAS 21553-46-8), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 4-methoxy-3,5-dimethylbenzoic acid.
Chemical Property Profile of 3,5-二甲基对茴香酸
Property Insights of 3,5-二甲基对茴香酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二甲基对茴香酸. With a topological polar surface area (TPSA) of 46.5 Ų, 3,5-二甲基对茴香酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二甲基对茴香酸 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 3,5-二甲基对茴香酸?
The CAS number of 3,5-二甲基对茴香酸 is 21553-46-8.
What is the molecular formula of 3,5-二甲基对茴香酸?
The molecular formula of 3,5-二甲基对茴香酸 is C10H12O3.
What is the molecular weight of 3,5-二甲基对茴香酸?
The molecular weight of 3,5-二甲基对茴香酸 is 180.08 g/mol.
Where can I buy 3,5-二甲基对茴香酸?
You can request a quote for 3,5-二甲基对茴香酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二甲基对茴香酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲基对茴香酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.