3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate
TL;DR: 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate (CAS 93905-72-7) is a chemical compound with molecular formula C14H20O5 and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 4-hydroxy-3,5-dimethoxybenzoate
Also Known As: 3-methylbutyl 4-hydroxy-3,5-dimethoxybenzoate
| Molecular Formula | C14H20O5 |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 268.13107 |
| Heavy Atoms | 19 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 93905-72-7 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC(=C(C(=C1)OC)O)OC |
| InChIKey | JCIVXRLPANLUIA-UHFFFAOYSA-N |
Product Overview
3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate (CAS 93905-72-7), with molecular formula C14H20O5 and molecular weight 268.13 g/mol. IUPAC: 3-methylbutyl 4-hydroxy-3,5-dimethoxybenzoate.
Chemical Property Profile of 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate
Property Insights of 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate
The XLogP value of 3.1 indicates that 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate. Following Lipinski's Rule of Five, 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate has 1 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-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate?
The CAS number of 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate is 93905-72-7.
What is the molecular formula of 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate?
The molecular formula of 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate is C14H20O5.
What is the molecular weight of 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate?
The molecular weight of 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate is 268.13 g/mol.
Where can I buy 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate?
You can request a quote for 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 4-hydroxy-3,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.