3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester
TL;DR: 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester (CAS 70096-86-5) is a chemical compound with molecular formula C10H19NO2 and molecular weight 185.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(diethylamino)-3-methylbut-3-enoate
Also Known As: Methyl 2-diethylamino-3-methyl-but-3-enoate, methyl 2-(diethylamino)-3-methylbut-3-enoate, 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester, Methyl 2-(diethylamino)-3-methyl-3-butenoate #, RefChem:277897
| Molecular Formula | C10H19NO2 |
|---|---|
| Molecular Weight | 185.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 185.14159 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 70096-86-5 |
|---|---|
| SMILES | CCN(CC)C(C(=C)C)C(=O)OC |
| InChIKey | OQSYMKVWRZTWAX-UHFFFAOYSA-N |
Product Overview
3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester (CAS 70096-86-5), with molecular formula C10H19NO2 and molecular weight 185.14 g/mol. IUPAC: methyl 2-(diethylamino)-3-methylbut-3-enoate.
Chemical Property Profile of 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester
Property Insights of 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl 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-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester?
The CAS number of 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester is 70096-86-5.
What is the molecular formula of 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester?
The molecular formula of 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester is C10H19NO2.
What is the molecular weight of 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester?
The molecular weight of 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester is 185.14 g/mol.
Where can I buy 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester?
You can request a quote for 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoic acid, 2-(diethylamino)-3-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.