benzamido (E)-3-(propan-2-ylamino)but-2-enoate
TL;DR: benzamido (E)-3-(propan-2-ylamino)but-2-enoate (CAS 5679-40-3) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzamido (E)-3-(propan-2-ylamino)but-2-enoate
Also Known As: benzamido (E)-3-(propan-2-ylamino)but-2-enoate, N-{[3-(isopropylamino)-2-butenoyl]oxy}benzamide, BIM-0028100.P001, N-({(2E)-3-[(Propan-2-yl)amino]but-2-enoyl}oxy)benzamide
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 1.7764 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 466.83923 |
Chemical Identifiers
| CAS Number | 5679-40-3 |
|---|---|
| SMILES | CC(C)N/C(=C/C(=O)ONC(=O)C1=CC=CC=C1)/C |
Product Overview
benzamido (E)-3-(propan-2-ylamino)but-2-enoate (CAS 5679-40-3), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: benzamido (E)-3-(propan-2-ylamino)but-2-enoate.
Chemical Property Profile of benzamido (E)-3-(propan-2-ylamino)but-2-enoate
Property Insights of benzamido (E)-3-(propan-2-ylamino)but-2-enoate
The XLogP value of 1.7764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzamido (E)-3-(propan-2-ylamino)but-2-enoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for benzamido (E)-3-(propan-2-ylamino)but-2-enoate. Following Lipinski's Rule of Five, benzamido (E)-3-(propan-2-ylamino)but-2-enoate has 2 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 benzamido (E)-3-(propan-2-ylamino)but-2-enoate?
The CAS number of benzamido (E)-3-(propan-2-ylamino)but-2-enoate is 5679-40-3.
What is the molecular formula of benzamido (E)-3-(propan-2-ylamino)but-2-enoate?
The molecular formula of benzamido (E)-3-(propan-2-ylamino)but-2-enoate is C14H18N2O3.
What is the molecular weight of benzamido (E)-3-(propan-2-ylamino)but-2-enoate?
The molecular weight of benzamido (E)-3-(propan-2-ylamino)but-2-enoate is 262.13 g/mol.
Where can I buy benzamido (E)-3-(propan-2-ylamino)but-2-enoate?
You can request a quote for benzamido (E)-3-(propan-2-ylamino)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzamido (E)-3-(propan-2-ylamino)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for benzamido (E)-3-(propan-2-ylamino)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.