![3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid structure](/static/products/893/893731-87-8.png)
3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid
TL;DR: 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid (CAS 893731-87-8) is a chemical compound with molecular formula C15H21NO3 and molecular weight 263.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid
Also Known As: (2E)-3-{3-[(diethylamino)methyl]-4-methoxyphenyl}acrylic acid, 3-[3-(diethylaminomethyl)-4-methoxy-phenyl]prop-2-enoic Acid, 3-[3-(diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid, (2E)-3-{3-[(diethylamino)methyl]-4-methoxyphenyl}prop-2-enoic acid
| Molecular Formula | C15H21NO3 |
|---|---|
| Molecular Weight | 263.15 g/mol |
| LogP | 2.6348 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 263.15213 |
| Heavy Atoms | 19 |
| Complexity | 450.70395 |
Chemical Identifiers
| CAS Number | 893731-87-8 |
|---|---|
| SMILES | CCN(CC)CC1=C(C=CC(=C1)C=CC(=O)O)OC |
Product Overview
3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid (CAS 893731-87-8), with molecular formula C15H21NO3 and molecular weight 263.15 g/mol. IUPAC: 3-[3-(diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid
Property Insights of 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid
The XLogP value of 2.6348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid. With a topological polar surface area (TPSA) of 49.77 Ų, 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic 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-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid?
The CAS number of 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid is 893731-87-8.
What is the molecular formula of 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid?
The molecular formula of 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid is C15H21NO3.
What is the molecular weight of 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid?
The molecular weight of 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid is 263.15 g/mol.
Where can I buy 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid?
You can request a quote for 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(Diethylaminomethyl)-4-methoxyphenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.