![dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate structure](/static/products/7840/78408-80-7.webp)
dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate
TL;DR: dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate (CAS 78408-80-7) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-[(benzylamino)methylidene]pent-2-enedioate
Also Known As: 1,5-dimethyl 4-[(benzylamino)methylidene]pent-2-enedioate, Dimethyl 4-[(benzylamino)methylidene]pent-2-enedioate, dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 1.5623 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 505.86462 |
Chemical Identifiers
| CAS Number | 78408-80-7 |
|---|---|
| SMILES | COC(=O)C=CC(=CNCC1=CC=CC=C1)C(=O)OC |
Product Overview
dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate (CAS 78408-80-7), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: dimethyl 4-[(benzylamino)methylidene]pent-2-enedioate.
Chemical Property Profile of dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate
Property Insights of dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate
The XLogP value of 1.5623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate. Following Lipinski's Rule of Five, dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate has 1 hydrogen bond donor(s) and 5 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 dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate?
The CAS number of dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate is 78408-80-7.
What is the molecular formula of dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate?
The molecular formula of dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate is C15H17NO4.
What is the molecular weight of dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate?
The molecular weight of dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate is 275.12 g/mol.
Where can I buy dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate?
You can request a quote for dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (E)-4-[(Z)-(benzylamino)methylidene]-2-pentenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.