2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺
TL;DR: 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺 (CAS 133550-34-2) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺
2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
Also Known As: Tyrphostin B46, TYRPHOSTIN AG 555, AG 555, (E)-AG 99, (E)-Tyrphostin 46; (E)-Tyrphostin AG 99
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 133550-34-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N |
| InChIKey | GSQOBTOAOGXIFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺 (CAS 133550-34-2), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: 2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide.
Chemical Property Profile of 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺
Property Insights of 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺
The XLogP value of 3.2 indicates that 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺. Following Lipinski's Rule of Five, 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺 has 3 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 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺?
The CAS number of 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺 is 133550-34-2.
What is the molecular formula of 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺?
The molecular formula of 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺 is C19H18N2O3.
What is the molecular weight of 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺?
The molecular weight of 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺 is 322.13 g/mol.
Where can I buy 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺?
You can request a quote for 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基-3-(3,4-二羟基苯基)-N-(3-苯丙基)丙烯酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.