Propanedioic acid, dibutyl ester
TL;DR: Propanedioic acid, dibutyl ester (CAS 1190-39-2) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl propanedioate
Also Known As: Dibutyl malonate, Malonic Acid Dibutyl Ester, dibutyl propanedioate, DIBUTYLMALONATE, Propanedioic acid, dibutyl ester
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 1190-39-2 |
|---|---|
| SMILES | CCCCOC(=O)CC(=O)OCCCC |
| InChIKey | NFKGQHYUYGYHIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, dibutyl ester (CAS 1190-39-2), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: dibutyl propanedioate.
Chemical Property Profile of Propanedioic acid, dibutyl ester
Property Insights of Propanedioic acid, dibutyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, dibutyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Propanedioic acid, dibutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, dibutyl ester 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 Propanedioic acid, dibutyl ester?
The CAS number of Propanedioic acid, dibutyl ester is 1190-39-2.
What is the molecular formula of Propanedioic acid, dibutyl ester?
The molecular formula of Propanedioic acid, dibutyl ester is C11H20O4.
What is the molecular weight of Propanedioic acid, dibutyl ester?
The molecular weight of Propanedioic acid, dibutyl ester is 216.14 g/mol.
Where can I buy Propanedioic acid, dibutyl ester?
You can request a quote for Propanedioic acid, dibutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.