Benzyl (2Z)-3-aminobut-2-enoate
TL;DR: Benzyl (2Z)-3-aminobut-2-enoate (CAS 43107-11-5) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-aminobut-2-enoate
Also Known As: (Z)-Benzyl 3-aminobut-2-enoate, benzyl (Z)-3-aminobut-2-enoate, BENZYL (2Z)-3-AMINOBUT-2-ENOATE, 2-Butenoic acid, 3-amino-, phenylmethyl ester
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 43107-11-5 |
|---|---|
| SMILES | CC(=CC(=O)OCC1=CC=CC=C1)N |
| InChIKey | LPYNWRPARGBJOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl (2Z)-3-aminobut-2-enoate (CAS 43107-11-5), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: benzyl 3-aminobut-2-enoate.
Chemical Property Profile of Benzyl (2Z)-3-aminobut-2-enoate
Property Insights of Benzyl (2Z)-3-aminobut-2-enoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl (2Z)-3-aminobut-2-enoate. With a topological polar surface area (TPSA) of 52.3 Ų, Benzyl (2Z)-3-aminobut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl (2Z)-3-aminobut-2-enoate 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 Benzyl (2Z)-3-aminobut-2-enoate?
The CAS number of Benzyl (2Z)-3-aminobut-2-enoate is 43107-11-5.
What is the molecular formula of Benzyl (2Z)-3-aminobut-2-enoate?
The molecular formula of Benzyl (2Z)-3-aminobut-2-enoate is C11H13NO2.
What is the molecular weight of Benzyl (2Z)-3-aminobut-2-enoate?
The molecular weight of Benzyl (2Z)-3-aminobut-2-enoate is 191.09 g/mol.
Where can I buy Benzyl (2Z)-3-aminobut-2-enoate?
You can request a quote for Benzyl (2Z)-3-aminobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (2Z)-3-aminobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (2Z)-3-aminobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.