3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate
TL;DR: 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate (CAS 283171-40-4) is a chemical compound with molecular formula C18H20O5 and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 3,4,5-trimethoxybenzoate
Also Known As: Maybridge3_004821, 3,5-dimethylphenyl 3,4,5-trimethoxybenzoate, IDI1_016208, BAS 00581449, (3,5-dimethylphenyl) 3,4,5-trimethoxybenzoate
| Molecular Formula | C18H20O5 |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.13107 |
| Heavy Atoms | 23 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 283171-40-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C |
| InChIKey | RRGHVMXRZCQUCI-UHFFFAOYSA-N |
Product Overview
3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate (CAS 283171-40-4), with molecular formula C18H20O5 and molecular weight 316.13 g/mol. IUPAC: (3,5-dimethylphenyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate
Property Insights of 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate
The XLogP value of 4.0 indicates that 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate?
The CAS number of 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate is 283171-40-4.
What is the molecular formula of 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate is C18H20O5.
What is the molecular weight of 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate is 316.13 g/mol.
Where can I buy 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylphenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.