4-(Diethylamino)-2-methylbut-2-enoic acid
TL;DR: 4-(Diethylamino)-2-methylbut-2-enoic acid (CAS 84196-09-8) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-2-methylbut-2-enoic acid
Also Known As: 4-(Diethylamino)-2-methyl-2-butenoic acid, 2-Butenoic acid,4-(diethylamino)-2-methyl-, 4-(DIETHYLAMINO)-2-METHYLBUT-2-ENOIC ACID
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.3591 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 171.36736 |
Chemical Identifiers
| CAS Number | 84196-09-8 |
|---|---|
| SMILES | CCN(CC)CC=C(C)C(=O)O |
Product Overview
4-(Diethylamino)-2-methylbut-2-enoic acid (CAS 84196-09-8), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: 4-(diethylamino)-2-methylbut-2-enoic acid.
Chemical Property Profile of 4-(Diethylamino)-2-methylbut-2-enoic acid
Property Insights of 4-(Diethylamino)-2-methylbut-2-enoic acid
The XLogP value of 1.3591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diethylamino)-2-methylbut-2-enoic acid. With a topological polar surface area (TPSA) of 40.54 Ų, 4-(Diethylamino)-2-methylbut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylamino)-2-methylbut-2-enoic acid has 1 hydrogen bond donor(s) and 2 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-(Diethylamino)-2-methylbut-2-enoic acid?
The CAS number of 4-(Diethylamino)-2-methylbut-2-enoic acid is 84196-09-8.
What is the molecular formula of 4-(Diethylamino)-2-methylbut-2-enoic acid?
The molecular formula of 4-(Diethylamino)-2-methylbut-2-enoic acid is C9H17NO2.
What is the molecular weight of 4-(Diethylamino)-2-methylbut-2-enoic acid?
The molecular weight of 4-(Diethylamino)-2-methylbut-2-enoic acid is 171.13 g/mol.
Where can I buy 4-(Diethylamino)-2-methylbut-2-enoic acid?
You can request a quote for 4-(Diethylamino)-2-methylbut-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 4-(Diethylamino)-2-methylbut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)-2-methylbut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.