![Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate structure](/static/products/3797/379714-47-3.webp)
Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate
TL;DR: Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate (CAS 379714-47-3) is a chemical compound with molecular formula C25H29N3O3 and molecular weight 419.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[(Z)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoate
Also Known As: butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate, Butyl 4-[[(Z)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoate
| Molecular Formula | C25H29N3O3 |
|---|---|
| Molecular Weight | 419.22 g/mol |
| LogP | 5.03538 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 419.2209 |
| Heavy Atoms | 31 |
| Complexity | 937.47266 |
Chemical Identifiers
| CAS Number | 379714-47-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)N(CC)CC)/C#N |
Product Overview
Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate (CAS 379714-47-3), with molecular formula C25H29N3O3 and molecular weight 419.22 g/mol. IUPAC: butyl 4-[[(Z)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoate.
Chemical Property Profile of Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate
Property Insights of Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate
The XLogP value of 5.03538 indicates that Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate. Following Lipinski's Rule of Five, Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate?
The CAS number of Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate is 379714-47-3.
What is the molecular formula of Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate?
The molecular formula of Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate is C25H29N3O3.
What is the molecular weight of Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate?
The molecular weight of Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate is 419.22 g/mol.
Where can I buy Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate?
You can request a quote for Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.