1,3-Benzodioxol-5-yl 4-bromobenzoate
TL;DR: 1,3-Benzodioxol-5-yl 4-bromobenzoate (CAS 791841-62-8) is a chemical compound with molecular formula C14H9BrO4 and molecular weight 319.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl 4-bromobenzoate
Also Known As: 1,3-benzodioxol-5-yl 4-bromobenzoate, AO-548/43196673
| Molecular Formula | C14H9BrO4 |
|---|---|
| Molecular Weight | 319.97 g/mol |
| LogP | 3.397 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.9684 |
| Heavy Atoms | 19 |
| Complexity | 621.84314 |
Chemical Identifiers
| CAS Number | 791841-62-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)Br |
Product Overview
1,3-Benzodioxol-5-yl 4-bromobenzoate (CAS 791841-62-8), with molecular formula C14H9BrO4 and molecular weight 319.97 g/mol. IUPAC: 1,3-benzodioxol-5-yl 4-bromobenzoate.
Chemical Property Profile of 1,3-Benzodioxol-5-yl 4-bromobenzoate
Property Insights of 1,3-Benzodioxol-5-yl 4-bromobenzoate
The XLogP value of 3.397 indicates that 1,3-Benzodioxol-5-yl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 1,3-Benzodioxol-5-yl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl 4-bromobenzoate 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 1,3-Benzodioxol-5-yl 4-bromobenzoate?
The CAS number of 1,3-Benzodioxol-5-yl 4-bromobenzoate is 791841-62-8.
What is the molecular formula of 1,3-Benzodioxol-5-yl 4-bromobenzoate?
The molecular formula of 1,3-Benzodioxol-5-yl 4-bromobenzoate is C14H9BrO4.
What is the molecular weight of 1,3-Benzodioxol-5-yl 4-bromobenzoate?
The molecular weight of 1,3-Benzodioxol-5-yl 4-bromobenzoate is 319.97 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl 4-bromobenzoate?
You can request a quote for 1,3-Benzodioxol-5-yl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.