4'-Bromophthalanilic acid
TL;DR: 4'-Bromophthalanilic acid (CAS 19336-83-5) is a chemical compound with molecular formula C14H10BrNO3 and molecular weight 318.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)carbamoyl]benzoic acid
Also Known As: 4'-bromophthalanilic acid, 2-[(4-bromophenyl)carbamoyl]benzoic acid, Maybridge1_006607, 2-((4-bromophenyl)carbamoyl)benzoic acid, 2-[(4-bromoanilino)carbonyl]benzoic acid
| Molecular Formula | C14H10BrNO3 |
|---|---|
| Molecular Weight | 318.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.9844 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 19336-83-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Br)C(=O)O |
| InChIKey | RVLIVDPEIKFJMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Bromophthalanilic acid (CAS 19336-83-5), with molecular formula C14H10BrNO3 and molecular weight 318.98 g/mol. IUPAC: 2-[(4-bromophenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 4'-Bromophthalanilic acid
Property Insights of 4'-Bromophthalanilic acid
The XLogP value of 3.3 indicates that 4'-Bromophthalanilic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Bromophthalanilic acid. Following Lipinski's Rule of Five, 4'-Bromophthalanilic acid has 2 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 4'-Bromophthalanilic acid?
The CAS number of 4'-Bromophthalanilic acid is 19336-83-5.
What is the molecular formula of 4'-Bromophthalanilic acid?
The molecular formula of 4'-Bromophthalanilic acid is C14H10BrNO3.
What is the molecular weight of 4'-Bromophthalanilic acid?
The molecular weight of 4'-Bromophthalanilic acid is 318.98 g/mol.
Where can I buy 4'-Bromophthalanilic acid?
You can request a quote for 4'-Bromophthalanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Bromophthalanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Bromophthalanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.