4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate
TL;DR: 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate (CAS 68515-54-8) 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.
2-O-(4-methyl-2-propylhexyl) 1-O-(3-propylheptyl) benzene-1,2-dicarboxylate
Also Known As: 4-methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, mono-C9-11-branched alkyl esters, C10-rich, 2-O-(4-methyl-2-propylhexyl) 1-O-(3-propylheptyl) benzene-1,2-dicarboxylate
| Molecular Formula | C28H46O4 |
|---|---|
| Molecular Weight | 446.34 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 446.3396 |
| Heavy Atoms | 32 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 68515-54-8 |
|---|---|
| SMILES | CCCCC(CCC)CCOC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CC(C)CC |
| InChIKey | SGQFNMXWBSKZLQ-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate (CAS 68515-54-8), with molecular formula C28H46O4 and molecular weight 446.34 g/mol. IUPAC: 2-O-(4-methyl-2-propylhexyl) 1-O-(3-propylheptyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate
Property Insights of 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate
The XLogP value of 9.9 indicates that 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate 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 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate?
The CAS number of 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate is 68515-54-8.
What is the molecular formula of 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate?
The molecular formula of 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate is C28H46O4.
What is the molecular weight of 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate?
The molecular weight of 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate is 446.34 g/mol.
Where can I buy 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate?
You can request a quote for 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.