5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate)
TL;DR: 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate) (CAS 363590-86-7) is a chemical compound with molecular formula C33H40O4 and molecular weight 500.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-5-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]phenyl] 2-[4-(2-methylpropyl)phenyl]propanoate
Also Known As: 5-methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate), 5-methylbenzene-1,3-diyl bis{2-[4-(2-methylpropyl)phenyl]propanoate}, [3-methyl-5-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]phenyl] 2-[4-(2-methylpropyl)phenyl]propanoate
| Molecular Formula | C33H40O4 |
|---|---|
| Molecular Weight | 500.29 g/mol |
| LogP | 7.81022 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.29266 |
| Heavy Atoms | 37 |
| Complexity | 1098.2477 |
Chemical Identifiers
| CAS Number | 363590-86-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(=O)C(C)C2=CC=C(C=C2)CC(C)C)OC(=O)C(C)C3=CC=C(C=C3)CC(C)C |
Product Overview
5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate) (CAS 363590-86-7), with molecular formula C33H40O4 and molecular weight 500.29 g/mol. IUPAC: [3-methyl-5-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]phenyl] 2-[4-(2-methylpropyl)phenyl]propanoate.
Chemical Property Profile of 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate)
Property Insights of 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate)
The XLogP value of 7.81022 indicates that 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate) 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 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate)?
The CAS number of 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate) is 363590-86-7.
What is the molecular formula of 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate)?
The molecular formula of 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate) is C33H40O4.
What is the molecular weight of 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate)?
The molecular weight of 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate) is 500.29 g/mol.
Where can I buy 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate)?
You can request a quote for 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate)?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,3-phenylene bis(2-(4-isobutylphenyl)propanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.