4-(hexylamino)benzoic Acid
TL;DR: 4-(hexylamino)benzoic Acid (CAS 55791-76-9) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hexylamino)benzoic acid
Also Known As: 4-(hexylamino)benzoic Acid, 4- BENZOICACID, 4-Hexylamino-benzoesaeure, 4-n-hexylamino-benzoic acid, 4-(N-HEXYLAMINO)BENZOIC ACID
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 3.377 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 319.2094 |
Chemical Identifiers
| CAS Number | 55791-76-9 |
|---|---|
| SMILES | CCCCCCNC1=CC=C(C=C1)C(=O)O |
Product Overview
4-(hexylamino)benzoic Acid (CAS 55791-76-9), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 4-(hexylamino)benzoic acid.
Chemical Property Profile of 4-(hexylamino)benzoic Acid
Property Insights of 4-(hexylamino)benzoic Acid
The XLogP value of 3.377 indicates that 4-(hexylamino)benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 4-(hexylamino)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(hexylamino)benzoic Acid has 2 hydrogen bond donor(s) and 2 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-(hexylamino)benzoic Acid?
The CAS number of 4-(hexylamino)benzoic Acid is 55791-76-9.
What is the molecular formula of 4-(hexylamino)benzoic Acid?
The molecular formula of 4-(hexylamino)benzoic Acid is C13H19NO2.
What is the molecular weight of 4-(hexylamino)benzoic Acid?
The molecular weight of 4-(hexylamino)benzoic Acid is 221.14 g/mol.
Where can I buy 4-(hexylamino)benzoic Acid?
You can request a quote for 4-(hexylamino)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(hexylamino)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(hexylamino)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.