N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺
TL;DR: N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺 (CAS 133550-30-8) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺
N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
Also Known As: Tyrphostin B42, Tyrphostin AG 490, Tyrphostin B 42, KBio2_000116, KBio2_002684
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 133550-30-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N |
| InChIKey | TUCIOBMMDDOEMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺 (CAS 133550-30-8), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide.
Chemical Property Profile of N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺
Property Insights of N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺. Following Lipinski's Rule of Five, N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-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 N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺?
The CAS number of N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺 is 133550-30-8.
What is the molecular formula of N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺?
The molecular formula of N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺 is C17H14N2O3.
What is the molecular weight of N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺?
The molecular weight of N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺 is 294.10 g/mol.
Where can I buy N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺?
You can request a quote for N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-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 N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-苄基-2-氰基-3-(3,4-二羟基苯基)丙-2-烯酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.