Dipentyl but-2-ynedioate
TL;DR: Dipentyl but-2-ynedioate (CAS 61644-48-2) is a chemical compound with molecular formula C14H22O4 and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipentyl but-2-ynedioate
Also Known As: dipentyl but-2-ynedioate, 1,4-dipentyl but-2-ynedioate, 2-Butynedioic acid dipentyl ester, but-2-ynedioic acid dipentyl ester, Acetylenedicarboxylic acid dipentyl ester
| Molecular Formula | C14H22O4 |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 254.15181 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 61644-48-2 |
|---|---|
| SMILES | CCCCCOC(=O)C#CC(=O)OCCCCC |
| InChIKey | OTBAGALLPLIXRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dipentyl but-2-ynedioate (CAS 61644-48-2), with molecular formula C14H22O4 and molecular weight 254.15 g/mol. IUPAC: dipentyl but-2-ynedioate.
Chemical Property Profile of Dipentyl but-2-ynedioate
Property Insights of Dipentyl but-2-ynedioate
The XLogP value of 4.4 indicates that Dipentyl 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, Dipentyl but-2-ynedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dipentyl 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 Dipentyl but-2-ynedioate?
The CAS number of Dipentyl but-2-ynedioate is 61644-48-2.
What is the molecular formula of Dipentyl but-2-ynedioate?
The molecular formula of Dipentyl but-2-ynedioate is C14H22O4.
What is the molecular weight of Dipentyl but-2-ynedioate?
The molecular weight of Dipentyl but-2-ynedioate is 254.15 g/mol.
Where can I buy Dipentyl but-2-ynedioate?
You can request a quote for Dipentyl 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 Dipentyl but-2-ynedioate?
Yes, KEHONG BIO provides custom synthesis services for Dipentyl but-2-ynedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.