diethyl 2-(4-vinylbenzyl)malonate
TL;DR: diethyl 2-(4-vinylbenzyl)malonate (CAS 53414-03-2) is a chemical compound with molecular formula C20H16N4O2 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-[5-[2-(hydroxyiminomethyl)pyrrol-1-yl]naphthalen-1-yl]pyrrol-2-yl]methylidene]hydroxylamine
Also Known As: diethyl 2-(4-vinylbenzyl)malonate, N-[[1-[5-[2-(hydroxyiminomethyl)pyrrol-1-yl]naphthalen-1-yl]pyrrol-2-yl]methylidene]hydroxylamine, N,N'-[Naphthalene-1,5-diylbis(1H-pyrrole-1,2-diylmethanylylidene)]dihydroxylamine
| Molecular Formula | C20H16N4O2 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.12732 |
| Heavy Atoms | 26 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 53414-03-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2N3C=CC=C3C=NO)C(=C1)N4C=CC=C4C=NO |
| InChIKey | ZGEYNCIIGZQNCN-UHFFFAOYSA-N |
Product Overview
diethyl 2-(4-vinylbenzyl)malonate (CAS 53414-03-2), with molecular formula C20H16N4O2 and molecular weight 344.13 g/mol. IUPAC: N-[[1-[5-[2-(hydroxyiminomethyl)pyrrol-1-yl]naphthalen-1-yl]pyrrol-2-yl]methylidene]hydroxylamine.
Chemical Property Profile of diethyl 2-(4-vinylbenzyl)malonate
Property Insights of diethyl 2-(4-vinylbenzyl)malonate
The XLogP value of 4.1 indicates that diethyl 2-(4-vinylbenzyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-(4-vinylbenzyl)malonate. Following Lipinski's Rule of Five, diethyl 2-(4-vinylbenzyl)malonate has 2 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 diethyl 2-(4-vinylbenzyl)malonate?
The CAS number of diethyl 2-(4-vinylbenzyl)malonate is 53414-03-2.
What is the molecular formula of diethyl 2-(4-vinylbenzyl)malonate?
The molecular formula of diethyl 2-(4-vinylbenzyl)malonate is C20H16N4O2.
What is the molecular weight of diethyl 2-(4-vinylbenzyl)malonate?
The molecular weight of diethyl 2-(4-vinylbenzyl)malonate is 344.13 g/mol.
Where can I buy diethyl 2-(4-vinylbenzyl)malonate?
You can request a quote for diethyl 2-(4-vinylbenzyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-(4-vinylbenzyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(4-vinylbenzyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.