ethyl (2Z)-3-(allylamino)-2-butenoate
TL;DR: ethyl (2Z)-3-(allylamino)-2-butenoate (CAS 312933-33-8) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(prop-2-enylamino)but-2-enoate
Also Known As: 3-(Allylamino)crotonic acid ethyl ester, ethyl (Z)-3-(allylamino)but-2-enoate, ethyl (2Z)-3-(allylamino)-2-butenoate, Ethyl 3-(prop-2-enylamino)but-2-enoate, ethyl (Z)-3-(prop-2-enylamino)but-2-enoate
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 1.2289 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 184.96756 |
Chemical Identifiers
| CAS Number | 312933-33-8 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C)\NCC=C |
Product Overview
ethyl (2Z)-3-(allylamino)-2-butenoate (CAS 312933-33-8), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: ethyl (Z)-3-(prop-2-enylamino)but-2-enoate.
Chemical Property Profile of ethyl (2Z)-3-(allylamino)-2-butenoate
Property Insights of ethyl (2Z)-3-(allylamino)-2-butenoate
The XLogP value of 1.2289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-3-(allylamino)-2-butenoate. With a topological polar surface area (TPSA) of 38.33 Ų, ethyl (2Z)-3-(allylamino)-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2Z)-3-(allylamino)-2-butenoate 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 ethyl (2Z)-3-(allylamino)-2-butenoate?
The CAS number of ethyl (2Z)-3-(allylamino)-2-butenoate is 312933-33-8.
What is the molecular formula of ethyl (2Z)-3-(allylamino)-2-butenoate?
The molecular formula of ethyl (2Z)-3-(allylamino)-2-butenoate is C9H15NO2.
What is the molecular weight of ethyl (2Z)-3-(allylamino)-2-butenoate?
The molecular weight of ethyl (2Z)-3-(allylamino)-2-butenoate is 169.11 g/mol.
Where can I buy ethyl (2Z)-3-(allylamino)-2-butenoate?
You can request a quote for ethyl (2Z)-3-(allylamino)-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2Z)-3-(allylamino)-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-3-(allylamino)-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.