2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈
TL;DR: 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈 (CAS 133550-18-2) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈
2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Also Known As: Tyrphostin AG 538, AG 538, 2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile, 3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphenyl)-oxomethyl]-2-propenenitrile, alpha-Cyano-(3,4-dihydroxy)cinnamoyl-(3',4'-dihydroxyphenyl)ketone
| Molecular Formula | C16H11NO5 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.06372 |
| Heavy Atoms | 22 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 133550-18-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C(C#N)C(=O)C2=CC(=C(C=C2)O)O)O)O |
| InChIKey | CANOJKGQDCJDOX-UHFFFAOYSA-N |
Product Overview
2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈 (CAS 133550-18-2), with molecular formula C16H11NO5 and molecular weight 297.06 g/mol. IUPAC: 2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈
Property Insights of 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈. Following Lipinski's Rule of Five, 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈 has 4 hydrogen bond donor(s) and 6 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-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈?
The CAS number of 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈 is 133550-18-2.
What is the molecular formula of 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈?
The molecular formula of 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈 is C16H11NO5.
What is the molecular weight of 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈?
The molecular weight of 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈 is 297.06 g/mol.
Where can I buy 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈?
You can request a quote for 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-二羟基苯甲酰基)-3-(3,4-二羟基苯基)丙烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.