Methyl 3-methylaminocrotonate
TL;DR: Methyl 3-methylaminocrotonate (CAS 21759-69-3) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-(methylamino)but-2-enoate
Also Known As: METHYL 3-METHYLAMINOCROTONATE, 2-p-tolyl-but-1-ene, methyl (Z)-3-(methylamino)but-2-enoate, Methyl 3-methylaminobut-2-enoate, methyl beta-methylaminocrotonate
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | 0.2826 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 129.01955 |
Chemical Identifiers
| CAS Number | 21759-69-3 |
|---|---|
| SMILES | C/C(=C/C(=O)OC)/NC |
Product Overview
Methyl 3-methylaminocrotonate (CAS 21759-69-3), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: methyl (Z)-3-(methylamino)but-2-enoate.
Chemical Property Profile of Methyl 3-methylaminocrotonate
Property Insights of Methyl 3-methylaminocrotonate
The XLogP value of 0.2826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methylaminocrotonate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl 3-methylaminocrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methylaminocrotonate 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 Methyl 3-methylaminocrotonate?
The CAS number of Methyl 3-methylaminocrotonate is 21759-69-3.
What is the molecular formula of Methyl 3-methylaminocrotonate?
The molecular formula of Methyl 3-methylaminocrotonate is C6H11NO2.
What is the molecular weight of Methyl 3-methylaminocrotonate?
The molecular weight of Methyl 3-methylaminocrotonate is 129.08 g/mol.
Where can I buy Methyl 3-methylaminocrotonate?
You can request a quote for Methyl 3-methylaminocrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methylaminocrotonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methylaminocrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.