Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one
TL;DR: Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one (CAS 40544-68-1) is a chemical compound with molecular formula C18H29NO5 and molecular weight 339.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one
Also Known As: (C12-H20-O4.C6-H9-N-O)x-, dibutyl (Z)-but-2-enedioate; 1-ethenylpyrrolidin-2-one, 2-Butenedioic acid (2Z)-, 1,4-dibutyl ester, polymer with 1-ethenyl-2-pyrrolidinone, 2-Butenedioic acid (2Z)-, dibutyl ester, polymer with 1-ethenyl-2-pyrrolidinone, 2-Butenedioic acid (Z)-, dibutyl ester, polymer with 1-ethenyl-2-pyrrolidinone
| Molecular Formula | C18H29NO5 |
|---|---|
| Molecular Weight | 339.20 g/mol |
| LogP | 2.9815 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 339.20456 |
| Heavy Atoms | 24 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 40544-68-1 |
|---|---|
| SMILES | CCCCOC(=O)C=CC(=O)OCCCC.C=CN1CCCC1=O |
| InChIKey | VTSGZZHOICTQME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one (CAS 40544-68-1), with molecular formula C18H29NO5 and molecular weight 339.20 g/mol. IUPAC: dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one.
Chemical Property Profile of Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one
Property Insights of Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one
The XLogP value of 2.9815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one. Following Lipinski's Rule of Five, Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one has 0 hydrogen bond donor(s) and 5 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 Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one?
The CAS number of Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one is 40544-68-1.
What is the molecular formula of Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one?
The molecular formula of Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one is C18H29NO5.
What is the molecular weight of Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one?
The molecular weight of Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one is 339.20 g/mol.
Where can I buy Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one?
You can request a quote for Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.