4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate
TL;DR: 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate (CAS 439094-30-1) is a chemical compound with molecular formula C18H19BrO3 and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-methyl-5-propan-2-ylphenyl) 4-methoxybenzoate
Also Known As: 4-bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate, (4-bromo-2-methyl-5-propan-2-ylphenyl) 4-methoxybenzoate, 4-bromo-2-methyl-5-(propan-2-yl)phenyl 4-methoxybenzoate, 11R-0641, (4-bromo-5-isopropyl-2-methyl-phenyl) 4-methoxybenzoate
| Molecular Formula | C18H19BrO3 |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 5.10872 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.05176 |
| Heavy Atoms | 22 |
| Complexity | 675.4768 |
Chemical Identifiers
| CAS Number | 439094-30-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC(=O)C2=CC=C(C=C2)OC)C(C)C)Br |
Product Overview
4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate (CAS 439094-30-1), with molecular formula C18H19BrO3 and molecular weight 362.05 g/mol. IUPAC: (4-bromo-2-methyl-5-propan-2-ylphenyl) 4-methoxybenzoate.
Chemical Property Profile of 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate
Property Insights of 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate
The XLogP value of 5.10872 indicates that 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate?
The CAS number of 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate is 439094-30-1.
What is the molecular formula of 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate?
The molecular formula of 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate is C18H19BrO3.
What is the molecular weight of 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate?
The molecular weight of 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate is 362.05 g/mol.
Where can I buy 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate?
You can request a quote for 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-isopropyl-2-methylphenyl 4-methoxybenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.