Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate
TL;DR: Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate (CAS 85409-66-1) is a chemical compound with molecular formula C28H46O4 and molecular weight 446.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-ethylhexyl) 4-methyl-5-propan-2-ylbenzene-1,2-dicarboxylate
Also Known As: EINECS 287-137-1, Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate, bis(2-ethylhexyl) 4-methyl-5-propan-2-ylbenzene-1,2-dicarboxylate, 1,2-bis(2-ethylhexyl) 4-methyl-5-(propan-2-yl)benzene-1,2-dicarboxylate, Bis(2-ethylhexyl) 4-methyl-5-(propan-2-yl)benzene-1,2-dicarboxylate
| Molecular Formula | C28H46O4 |
|---|---|
| Molecular Weight | 446.34 g/mol |
| LogP | 7.86482 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 446.3396 |
| Heavy Atoms | 32 |
| Complexity | 707.6291 |
Chemical Identifiers
| CAS Number | 85409-66-1 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=C(C=C(C(=C1)C)C(C)C)C(=O)OCC(CC)CCCC |
Product Overview
Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate (CAS 85409-66-1), with molecular formula C28H46O4 and molecular weight 446.34 g/mol. IUPAC: bis(2-ethylhexyl) 4-methyl-5-propan-2-ylbenzene-1,2-dicarboxylate.
Chemical Property Profile of Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate
Property Insights of Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate
The XLogP value of 7.86482 indicates that Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate?
The CAS number of Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate is 85409-66-1.
What is the molecular formula of Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate?
The molecular formula of Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate is C28H46O4.
What is the molecular weight of Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate?
The molecular weight of Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate is 446.34 g/mol.
Where can I buy Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate?
You can request a quote for Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.