4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid
TL;DR: 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid (CAS 299965-41-6) is a chemical compound with molecular formula C20H21N3O8 and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hexoxycarbonylanilino)-3,5-dinitrobenzoic acid
Also Known As: BV01, BAS 00040423, 4-{4-[(hexyloxy)carbonyl]anilino}-3,5-bisnitrobenzoic acid, 4-(4-hexoxycarbonylanilino)-3,5-dinitrobenzoic acid, J3.322.127D
| Molecular Formula | C20H21N3O8 |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 4.6819 |
| Topological Polar Surface Area | 161.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 431.13287 |
| Heavy Atoms | 31 |
| Complexity | 953.4146 |
Chemical Identifiers
| CAS Number | 299965-41-6 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-] |
Product Overview
4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid (CAS 299965-41-6), with molecular formula C20H21N3O8 and molecular weight 431.13 g/mol. IUPAC: 4-(4-hexoxycarbonylanilino)-3,5-dinitrobenzoic acid.
Chemical Property Profile of 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid
Property Insights of 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid
The XLogP value of 4.6819 indicates that 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.91 Ų indicates high polarity, suggesting 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid has 2 hydrogen bond donor(s) and 8 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-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid?
The CAS number of 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid is 299965-41-6.
What is the molecular formula of 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid?
The molecular formula of 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid is C20H21N3O8.
What is the molecular weight of 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid?
The molecular weight of 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid is 431.13 g/mol.
Where can I buy 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid?
You can request a quote for 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Hexoxycarbonylanilino)-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.