3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester
TL;DR: 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester (CAS 56500-44-8) 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.
2-(dimethylamino)ethyl 3-methylbut-2-enoate
Also Known As: 2-(dimethylamino)ethyl 3-methylbut-2-enoate, 2-dimethylaminoethyl 3-methylbut-2-enoate, 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 56500-44-8 |
|---|---|
| SMILES | CC(=CC(=O)OCCN(C)C)C |
| InChIKey | RWGQFDGHIHJVEA-UHFFFAOYSA-N |
Product Overview
3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester (CAS 56500-44-8), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: 2-(dimethylamino)ethyl 3-methylbut-2-enoate.
Chemical Property Profile of 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester
Property Insights of 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester has 0 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-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester?
The CAS number of 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester is 56500-44-8.
What is the molecular formula of 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester?
The molecular formula of 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester is C9H17NO2.
What is the molecular weight of 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester?
The molecular weight of 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester is 171.13 g/mol.
Where can I buy 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester?
You can request a quote for 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbut-2-enoic acid, 2-dimethylaminoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.