![Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate structure](/static/products/382/382597-66-2.png)
Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate
TL;DR: Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate (CAS 382597-66-2) is a chemical compound with molecular formula C16H13BrO4 and molecular weight 348.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-bromo-4-(3-methylbenzoyl)oxybenzoate
Also Known As: Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate, methyl 3-bromo-4-(3-methylbenzoyl)oxybenzoate, Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate #, Benzoic acid, 3-bromo-4-(3-methylbenzoyloxy)-, methyl ester
| Molecular Formula | C16H13BrO4 |
|---|---|
| Molecular Weight | 348.00 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.99973 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 382597-66-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=C(C=C(C=C2)C(=O)OC)Br |
| InChIKey | XSCPIYHSPLMTHG-UHFFFAOYSA-N |
Product Overview
Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate (CAS 382597-66-2), with molecular formula C16H13BrO4 and molecular weight 348.00 g/mol. IUPAC: methyl 3-bromo-4-(3-methylbenzoyl)oxybenzoate.
Chemical Property Profile of Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate
Property Insights of Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate
The XLogP value of 4.2 indicates that Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate has 0 hydrogen bond donor(s) and 4 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 Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate?
The CAS number of Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate is 382597-66-2.
What is the molecular formula of Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate?
The molecular formula of Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate is C16H13BrO4.
What is the molecular weight of Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate?
The molecular weight of Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate is 348.00 g/mol.
Where can I buy Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate?
You can request a quote for Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-bromo-4-[(3-methylbenzoyl)oxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.