4-烯丙氧基-3,5-二甲基苯甲酸
TL;DR: 4-烯丙氧基-3,5-二甲基苯甲酸 (CAS 7192-39-4) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-烯丙氧基-3,5-二甲基苯甲酸
3,5-dimethyl-4-prop-2-enoxybenzoic acid
Also Known As: 4-Allyloxy-3,5-dimethylbenzoic acid, BENZOIC ACID, 4-(ALLYLOXY)-3,5-DIMETHYL-, 4-(Allyloxy)-3,5-dimethylbenzoic acid, 4-allyloxy-3,5-dimethyl-benzoic acid, 3,5-dimethyl-4-prop-2-enoxybenzoic acid
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 7192-39-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OCC=C)C)C(=O)O |
| InChIKey | BJPBXFYIWSDQPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-烯丙氧基-3,5-二甲基苯甲酸 (CAS 7192-39-4), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 3,5-dimethyl-4-prop-2-enoxybenzoic acid.
Chemical Property Profile of 4-烯丙氧基-3,5-二甲基苯甲酸
Property Insights of 4-烯丙氧基-3,5-二甲基苯甲酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-烯丙氧基-3,5-二甲基苯甲酸. With a topological polar surface area (TPSA) of 46.5 Ų, 4-烯丙氧基-3,5-二甲基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-烯丙氧基-3,5-二甲基苯甲酸 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 4-烯丙氧基-3,5-二甲基苯甲酸?
The CAS number of 4-烯丙氧基-3,5-二甲基苯甲酸 is 7192-39-4.
What is the molecular formula of 4-烯丙氧基-3,5-二甲基苯甲酸?
The molecular formula of 4-烯丙氧基-3,5-二甲基苯甲酸 is C12H14O3.
What is the molecular weight of 4-烯丙氧基-3,5-二甲基苯甲酸?
The molecular weight of 4-烯丙氧基-3,5-二甲基苯甲酸 is 206.09 g/mol.
Where can I buy 4-烯丙氧基-3,5-二甲基苯甲酸?
You can request a quote for 4-烯丙氧基-3,5-二甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-烯丙氧基-3,5-二甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-烯丙氧基-3,5-二甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.