Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate
TL;DR: Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate (CAS 301306-49-0) is a chemical compound with molecular formula C21H25NO6 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
Also Known As: isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate, isobutyl p-(3,4,5-trianisoylamino)benzoate, VU0508949-1, F3095-0968, 2-METHYLPROPYL 4-(3,4,5-TRIMETHOXYBENZAMIDO)BENZOATE
| Molecular Formula | C21H25NO6 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 3.7775 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.16818 |
| Heavy Atoms | 28 |
| Complexity | 804.2846 |
Chemical Identifiers
| CAS Number | 301306-49-0 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate (CAS 301306-49-0), with molecular formula C21H25NO6 and molecular weight 387.17 g/mol. IUPAC: 2-methylpropyl 4-[(3,4,5-trimethoxybenzoyl)amino]benzoate.
Chemical Property Profile of Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate
Property Insights of Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate
The XLogP value of 3.7775 indicates that Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate. Following Lipinski's Rule of Five, Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate has 1 hydrogen bond donor(s) and 6 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 Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate?
The CAS number of Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate is 301306-49-0.
What is the molecular formula of Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate?
The molecular formula of Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate is C21H25NO6.
What is the molecular weight of Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate?
The molecular weight of Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate is 387.17 g/mol.
Where can I buy Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate?
You can request a quote for Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 4-(3,4,5-trimethoxybenzamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.