Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester
TL;DR: Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester (CAS 3611-63-0) is a chemical compound with molecular formula C19H15BrO5 and molecular weight 402.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-benzofuran-2-yl-(4-bromophenyl)methoxy]-4-oxobutanoic acid
Also Known As: Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester, M/Q, 4-[1-benzofuran-2-yl-(4-bromophenyl)methoxy]-4-oxobutanoic acid, 4-[(1-Benzofuran-2-yl)(4-bromophenyl)methoxy]-4-oxobutanoic acid, 4-[1-benzofuran-2-yl-(4-bromophenyl)methoxy]-4-oxobutanoic a
| Molecular Formula | C19H15BrO5 |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.01028 |
| Heavy Atoms | 25 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 3611-63-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(C3=CC=C(C=C3)Br)OC(=O)CCC(=O)O |
| InChIKey | BNKWVICCWVVMCA-UHFFFAOYSA-N |
Product Overview
Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester (CAS 3611-63-0), with molecular formula C19H15BrO5 and molecular weight 402.01 g/mol. IUPAC: 4-[1-benzofuran-2-yl-(4-bromophenyl)methoxy]-4-oxobutanoic acid.
Chemical Property Profile of Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester
Property Insights of Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester
The XLogP value of 3.9 indicates that Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester. Following Lipinski's Rule of Five, Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester has 1 hydrogen bond donor(s) and 5 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 Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester?
The CAS number of Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester is 3611-63-0.
What is the molecular formula of Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester?
The molecular formula of Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester is C19H15BrO5.
What is the molecular weight of Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester?
The molecular weight of Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester is 402.01 g/mol.
Where can I buy Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester?
You can request a quote for Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Succinic acid, mono(alpha-2-benzofuranyl-p-bromobenzyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.