Dibutyl 2-methylbutanedioate
TL;DR: Dibutyl 2-methylbutanedioate (CAS 114297-08-4) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2-methylbutanedioate
Also Known As: dibutyl 2-methylbutanedioate, Dibutyl 2-methylsuccinate #, Succinic acid, methyl-, dibutyl ester, 2-Methylbutanedioic acid dibutyl ester, Methylsuccinic acid dibutyl ester
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 114297-08-4 |
|---|---|
| SMILES | CCCCOC(=O)CC(C)C(=O)OCCCC |
| InChIKey | YJWVESZJWLFYQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl 2-methylbutanedioate (CAS 114297-08-4), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: dibutyl 2-methylbutanedioate.
Chemical Property Profile of Dibutyl 2-methylbutanedioate
Property Insights of Dibutyl 2-methylbutanedioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl 2-methylbutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dibutyl 2-methylbutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl 2-methylbutanedioate 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 2-methylbutanedioate?
The CAS number of Dibutyl 2-methylbutanedioate is 114297-08-4.
What is the molecular formula of Dibutyl 2-methylbutanedioate?
The molecular formula of Dibutyl 2-methylbutanedioate is C13H24O4.
What is the molecular weight of Dibutyl 2-methylbutanedioate?
The molecular weight of Dibutyl 2-methylbutanedioate is 244.17 g/mol.
Where can I buy Dibutyl 2-methylbutanedioate?
You can request a quote for Dibutyl 2-methylbutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl 2-methylbutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl 2-methylbutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.