ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate
TL;DR: ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate (CAS 49582-72-1) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate
Also Known As: ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate, 2-Propenoic acid, 3-(dimethylamino)-3-ethoxy-, ethyl ester
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 49582-72-1 |
|---|---|
| SMILES | CCOC(=CC(=O)OCC)N(C)C |
| InChIKey | XGOQBAXNDFHTPR-UHFFFAOYSA-N |
Product Overview
ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate (CAS 49582-72-1), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate.
Chemical Property Profile of ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate
Property Insights of ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate. With a topological polar surface area (TPSA) of 38.8 Ų, ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate has 0 hydrogen bond donor(s) and 4 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 ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate?
The CAS number of ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate is 49582-72-1.
What is the molecular formula of ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate?
The molecular formula of ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate is C9H17NO3.
What is the molecular weight of ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate?
The molecular weight of ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate is 187.12 g/mol.
Where can I buy ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate?
You can request a quote for ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(dimethylamino)-3-ethoxyprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.