Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate
TL;DR: Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate (CAS 339029-92-4) is a chemical compound with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate
Also Known As: Bionet2_000941, methyl 3-(3-amino-1-cyano-1-phenyl-1H-inden-2-yl)acrylate, methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate, Methyl 3-(3-amino-1-cyano-1-phenyl-1H-inden-2-yl)-2-propenoate, Methyl 3-(3-amino-1-cyano-1-phenyl-1H-inden-2-yl)prop-2-enoate
| Molecular Formula | C20H16N2O2 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 2.90888 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.1212 |
| Heavy Atoms | 24 |
| Complexity | 891.3549 |
Chemical Identifiers
| CAS Number | 339029-92-4 |
|---|---|
| SMILES | COC(=O)C=CC1=C(C2=CC=CC=C2C1(C#N)C3=CC=CC=C3)N |
Product Overview
Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate (CAS 339029-92-4), with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol. IUPAC: methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate.
Chemical Property Profile of Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate
Property Insights of Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate
The XLogP value of 2.90888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate has 1 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 Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate?
The CAS number of Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate is 339029-92-4.
What is the molecular formula of Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate?
The molecular formula of Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate is C20H16N2O2.
What is the molecular weight of Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate?
The molecular weight of Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate is 316.12 g/mol.
Where can I buy Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate?
You can request a quote for Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-amino-1-cyano-1-phenylinden-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.