dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate
TL;DR: dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate (CAS 39713-26-3) is a chemical compound with molecular formula C23H20N2O4 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate
Also Known As: dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate, -2-[4-Cyano-1,4-dihydro-1- quinolin-3-yl]-2-butenedioicaciddimethylester, 2-Butenedioic acid, 2-[4-cyano-1,4-dihydro-1-(phenylmethyl)-3-quinolinyl]-, dimethyl ester, (Z)-, 1,4-dimethyl (2Z)-2-(1-benzyl-4-cyano-1,4-dihydroquinolin-3-yl)but-2-enedioate, Dimethyl (2Z)-2-(1-benzyl-4-cyano-1,4-dihydro-3-quinolinyl)-2-butenedioate
| Molecular Formula | C23H20N2O4 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 3.47028 |
| Topological Polar Surface Area | 79.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.1423 |
| Heavy Atoms | 29 |
| Complexity | 1018.6734 |
Chemical Identifiers
| CAS Number | 39713-26-3 |
|---|---|
| SMILES | COC(=O)/C=C(/C1=CN(C2=CC=CC=C2C1C#N)CC3=CC=CC=C3)\C(=O)OC |
Product Overview
dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate (CAS 39713-26-3), with molecular formula C23H20N2O4 and molecular weight 388.14 g/mol. IUPAC: dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate.
Chemical Property Profile of dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate
Property Insights of dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate
The XLogP value of 3.47028 indicates that dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.63 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate. Following Lipinski's Rule of Five, dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate has 0 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 dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate?
The CAS number of dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate is 39713-26-3.
What is the molecular formula of dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate?
The molecular formula of dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate is C23H20N2O4.
What is the molecular weight of dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate?
The molecular weight of dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate is 388.14 g/mol.
Where can I buy dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate?
You can request a quote for dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.