Isophthalanilide, 2',2''-dibromo-4-hydroxy-
TL;DR: Isophthalanilide, 2',2''-dibromo-4-hydroxy- (CAS 29114-89-4) is a chemical compound with molecular formula C20H14Br2N2O3 and molecular weight 487.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-bis(2-bromophenyl)-4-hydroxybenzene-1,3-dicarboxamide
Also Known As: 2',2''-Dibromo-4-hydroxyisophthalanilide, Isophthalanilide, 2',2''-dibromo-4-hydroxy-, 1-N,3-N-bis(2-bromophenyl)-4-hydroxybenzene-1,3-dicarboxamide, N~1~,N~3~-Bis(2-bromophenyl)-4-hydroxybenzene-1,3-dicarboxamide, RefChem:349782
| Molecular Formula | C20H14Br2N2O3 |
|---|---|
| Molecular Weight | 487.94 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.93713 |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 29114-89-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=CC=C3Br)Br |
| InChIKey | WATWNSYJFYUFHN-UHFFFAOYSA-N |
Product Overview
Isophthalanilide, 2',2''-dibromo-4-hydroxy- (CAS 29114-89-4), with molecular formula C20H14Br2N2O3 and molecular weight 487.94 g/mol. IUPAC: 1-N,3-N-bis(2-bromophenyl)-4-hydroxybenzene-1,3-dicarboxamide.
Chemical Property Profile of Isophthalanilide, 2',2''-dibromo-4-hydroxy-
Property Insights of Isophthalanilide, 2',2''-dibromo-4-hydroxy-
The XLogP value of 5.5 indicates that Isophthalanilide, 2',2''-dibromo-4-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isophthalanilide, 2',2''-dibromo-4-hydroxy-. Following Lipinski's Rule of Five, Isophthalanilide, 2',2''-dibromo-4-hydroxy- has 3 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 Isophthalanilide, 2',2''-dibromo-4-hydroxy-?
The CAS number of Isophthalanilide, 2',2''-dibromo-4-hydroxy- is 29114-89-4.
What is the molecular formula of Isophthalanilide, 2',2''-dibromo-4-hydroxy-?
The molecular formula of Isophthalanilide, 2',2''-dibromo-4-hydroxy- is C20H14Br2N2O3.
What is the molecular weight of Isophthalanilide, 2',2''-dibromo-4-hydroxy-?
The molecular weight of Isophthalanilide, 2',2''-dibromo-4-hydroxy- is 487.94 g/mol.
Where can I buy Isophthalanilide, 2',2''-dibromo-4-hydroxy-?
You can request a quote for Isophthalanilide, 2',2''-dibromo-4-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophthalanilide, 2',2''-dibromo-4-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Isophthalanilide, 2',2''-dibromo-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.