Dibutyl but-2-ynedioate
TL;DR: Dibutyl but-2-ynedioate (CAS 14447-04-2) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl but-2-ynedioate
Also Known As: dibutyl but-2-ynedioate, Dibutyl acteylenedicaboxylate, Dibutyl acetylenedicarboxylate, 2-Butynedioic acid dibutyl ester, but-2-ynedioic acid dibutyl ester
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 14447-04-2 |
|---|---|
| SMILES | CCCCOC(=O)C#CC(=O)OCCCC |
| InChIKey | JHYLUAZDEONDSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl but-2-ynedioate (CAS 14447-04-2), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: dibutyl but-2-ynedioate.
Chemical Property Profile of Dibutyl but-2-ynedioate
Property Insights of Dibutyl but-2-ynedioate
The XLogP value of 3.3 indicates that Dibutyl but-2-ynedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dibutyl but-2-ynedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl but-2-ynedioate has 0 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 Dibutyl but-2-ynedioate?
The CAS number of Dibutyl but-2-ynedioate is 14447-04-2.
What is the molecular formula of Dibutyl but-2-ynedioate?
The molecular formula of Dibutyl but-2-ynedioate is C12H18O4.
What is the molecular weight of Dibutyl but-2-ynedioate?
The molecular weight of Dibutyl but-2-ynedioate is 226.12 g/mol.
Where can I buy Dibutyl but-2-ynedioate?
You can request a quote for Dibutyl but-2-ynedioate 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-ynedioate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl but-2-ynedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.