4-Aminonaphthalen-1-yl benzoate
TL;DR: 4-Aminonaphthalen-1-yl benzoate (CAS 62174-99-6) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-aminonaphthalen-1-yl) benzoate
Also Known As: 4-aminonaphthalen-1-yl benzoate, (4-aminonaphthalen-1-yl) benzoate
| Molecular Formula | C17H13NO2 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.09464 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 62174-99-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C3=CC=CC=C32)N |
| InChIKey | MITXUNSPJMCZOK-UHFFFAOYSA-N |
Product Overview
4-Aminonaphthalen-1-yl benzoate (CAS 62174-99-6), with molecular formula C17H13NO2 and molecular weight 263.09 g/mol. IUPAC: (4-aminonaphthalen-1-yl) benzoate.
Chemical Property Profile of 4-Aminonaphthalen-1-yl benzoate
Property Insights of 4-Aminonaphthalen-1-yl benzoate
The XLogP value of 3.9 indicates that 4-Aminonaphthalen-1-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 4-Aminonaphthalen-1-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Aminonaphthalen-1-yl benzoate has 1 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-Aminonaphthalen-1-yl benzoate?
The CAS number of 4-Aminonaphthalen-1-yl benzoate is 62174-99-6.
What is the molecular formula of 4-Aminonaphthalen-1-yl benzoate?
The molecular formula of 4-Aminonaphthalen-1-yl benzoate is C17H13NO2.
What is the molecular weight of 4-Aminonaphthalen-1-yl benzoate?
The molecular weight of 4-Aminonaphthalen-1-yl benzoate is 263.09 g/mol.
Where can I buy 4-Aminonaphthalen-1-yl benzoate?
You can request a quote for 4-Aminonaphthalen-1-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminonaphthalen-1-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminonaphthalen-1-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.