间苯二甲酸二异丁酯
TL;DR: 间苯二甲酸二异丁酯 (CAS 1528-64-9) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间苯二甲酸二异丁酯
bis(2-methylpropyl) benzene-1,3-dicarboxylate
Also Known As: Diisobutyl isophthalate, ISOPHTHALIC ACID, DIISOBUTYL ESTER, isophthalic acid diisobutyl ester, bis(2-methylpropyl) benzene-1,3-dicarboxylate, di-(2-Methylpropyl) isophthalate
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 1528-64-9 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC(=CC=C1)C(=O)OCC(C)C |
| InChIKey | LKUXNJPSPNDDLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间苯二甲酸二异丁酯 (CAS 1528-64-9), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: bis(2-methylpropyl) benzene-1,3-dicarboxylate.
Chemical Property Profile of 间苯二甲酸二异丁酯
Property Insights of 间苯二甲酸二异丁酯
The XLogP value of 4.3 indicates that 间苯二甲酸二异丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 间苯二甲酸二异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间苯二甲酸二异丁酯 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 间苯二甲酸二异丁酯?
The CAS number of 间苯二甲酸二异丁酯 is 1528-64-9.
What is the molecular formula of 间苯二甲酸二异丁酯?
The molecular formula of 间苯二甲酸二异丁酯 is C16H22O4.
What is the molecular weight of 间苯二甲酸二异丁酯?
The molecular weight of 间苯二甲酸二异丁酯 is 278.15 g/mol.
Where can I buy 间苯二甲酸二异丁酯?
You can request a quote for 间苯二甲酸二异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间苯二甲酸二异丁酯?
Yes, KEHONG BIO provides custom synthesis services for 间苯二甲酸二异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.