5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate
TL;DR: 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate (CAS 331459-93-9) is a chemical compound with molecular formula C16H15BrO3 and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-2-methoxyphenyl)methyl 4-methylbenzoate
Also Known As: (5-bromo-2-methoxyphenyl)methyl 4-methylbenzoate, 5-bromo-2-methoxybenzyl 4-methylbenzenecarboxylate, (5-bromo-2-methoxyphenyl)methyl4-methylbenzoate, (5-bromo-2-methoxy-phenyl)methyl 4-methylbenzoate
| Molecular Formula | C16H15BrO3 |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 4.12312 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.02045 |
| Heavy Atoms | 20 |
| Complexity | 605.6191 |
Chemical Identifiers
| CAS Number | 331459-93-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)Br)OC |
Product Overview
5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate (CAS 331459-93-9), with molecular formula C16H15BrO3 and molecular weight 334.02 g/mol. IUPAC: (5-bromo-2-methoxyphenyl)methyl 4-methylbenzoate.
Chemical Property Profile of 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate
Property Insights of 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate
The XLogP value of 4.12312 indicates that 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate has 0 hydrogen bond donor(s) and 3 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 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate?
The CAS number of 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate is 331459-93-9.
What is the molecular formula of 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate?
The molecular formula of 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate is C16H15BrO3.
What is the molecular weight of 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate?
The molecular weight of 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate is 334.02 g/mol.
Where can I buy 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate?
You can request a quote for 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-methoxybenzyl 4-methylbenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.