Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)-
TL;DR: Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)- (CAS 17332-31-9) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butoxycarbonylanilino)benzoic acid
Also Known As: 1'-Butyl 2,4'-iminodibenzoate, Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)-, Benzoic acid, 2,4'-iminodi-, 1'-butyl ester, 2-((4-(Butoxycarbonyl)phenyl)amino)benzoic acid, 2-(4-butoxycarbonylanilino)benzoic acid
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 17332-31-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O |
| InChIKey | MYVYRCJIALKKDS-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)- (CAS 17332-31-9), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: 2-(4-butoxycarbonylanilino)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)-
Property Insights of Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)-
The XLogP value of 5.5 indicates that Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)-?
The CAS number of Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)- is 17332-31-9.
What is the molecular formula of Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)-?
The molecular formula of Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)- is C18H19NO4.
What is the molecular weight of Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)-?
The molecular weight of Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)- is 313.13 g/mol.
Where can I buy Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)-?
You can request a quote for Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.