3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid
TL;DR: 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid (CAS 647855-52-5) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-5-prop-2-enylbenzoic acid
Also Known As: 3-allyl-4,5-dimethoxybenzoic acid, 3,4-dimethoxy-5-(prop-2-en-1-yl)benzoic acid, 3,4-dimethoxy-5-prop-2-enylbenzoic acid, 3-allyl-4,5-dimethoxybenzoicacid, 3-allyl-4,5-dimethoxy-benzoic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.1305 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 409.72495 |
Chemical Identifiers
| CAS Number | 647855-52-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)CC=C)C(=O)O |
Product Overview
3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid (CAS 647855-52-5), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 3,4-dimethoxy-5-prop-2-enylbenzoic acid.
Chemical Property Profile of 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid
Property Insights of 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid
The XLogP value of 2.1305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid 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 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid?
The CAS number of 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid is 647855-52-5.
What is the molecular formula of 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid?
The molecular formula of 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid is C12H14O4.
What is the molecular weight of 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid?
The molecular weight of 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid is 222.09 g/mol.
Where can I buy 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid?
You can request a quote for 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxy-5-(prop-2-en-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.