Propanedioic acid, methyl-, dibutyl ester
TL;DR: Propanedioic acid, methyl-, dibutyl ester (CAS 53215-36-4) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2-methylpropanedioate
Also Known As: dibutyl methylmalonate, Dibutyl 2-methylmalonate, Dibutyl-2-methylmalonate, Methylmalonicaciddibutylester, dibutyl 2-methylpropanedioate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 53215-36-4 |
|---|---|
| SMILES | CCCCOC(=O)C(C)C(=O)OCCCC |
| InChIKey | PYKIHPRFFNLVMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, methyl-, dibutyl ester (CAS 53215-36-4), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: dibutyl 2-methylpropanedioate.
Chemical Property Profile of Propanedioic acid, methyl-, dibutyl ester
Property Insights of Propanedioic acid, methyl-, dibutyl ester
The XLogP value of 3.2 indicates that Propanedioic acid, methyl-, dibutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Propanedioic acid, methyl-, dibutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, methyl-, 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, methyl-, dibutyl ester?
The CAS number of Propanedioic acid, methyl-, dibutyl ester is 53215-36-4.
What is the molecular formula of Propanedioic acid, methyl-, dibutyl ester?
The molecular formula of Propanedioic acid, methyl-, dibutyl ester is C12H22O4.
What is the molecular weight of Propanedioic acid, methyl-, dibutyl ester?
The molecular weight of Propanedioic acid, methyl-, dibutyl ester is 230.15 g/mol.
Where can I buy Propanedioic acid, methyl-, dibutyl ester?
You can request a quote for Propanedioic acid, methyl-, 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, methyl-, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, methyl-, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.