戊二酸二异丁酯
TL;DR: 戊二酸二异丁酯 (CAS 71195-64-7) 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.
戊二酸二异丁酯
bis(2-methylpropyl) pentanedioate
Also Known As: Diisobutyl glutarate, diisobutylglutarate, diisobutylglutarat, Diisobutyl=glutarate, bis(2-methylpropyl) pentanedioate
| 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 | 10 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 71195-64-7 |
|---|---|
| SMILES | CC(C)COC(=O)CCCC(=O)OCC(C)C |
| InChIKey | UFWRCRCDRAUAAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊二酸二异丁酯 (CAS 71195-64-7), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: bis(2-methylpropyl) pentanedioate.
Chemical Property Profile of 戊二酸二异丁酯
Property Insights of 戊二酸二异丁酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 戊二酸二异丁酯. With a topological polar surface area (TPSA) of 52.6 Ų, 戊二酸二异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊二酸二异丁酯 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 戊二酸二异丁酯?
The CAS number of 戊二酸二异丁酯 is 71195-64-7.
What is the molecular formula of 戊二酸二异丁酯?
The molecular formula of 戊二酸二异丁酯 is C13H24O4.
What is the molecular weight of 戊二酸二异丁酯?
The molecular weight of 戊二酸二异丁酯 is 244.17 g/mol.
Where can I buy 戊二酸二异丁酯?
You can request a quote for 戊二酸二异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊二酸二异丁酯?
Yes, KEHONG BIO provides custom synthesis services for 戊二酸二异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.