NCIStruc1_000599
TL;DR: NCIStruc1_000599 (CAS 60049-54-9) is a chemical compound with molecular formula C19H16O3 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxynaphthalen-1-yl)methyl]benzoic acid
Also Known As: NCIStruc1_000599, NCIStruc2_000425, 2-[(4-methoxynaphthalen-1-yl)methyl]benzoic acid, 3-Butenoicacid,2-amino-3-methyl, 2-((4-Methoxynaphthalen-1-yl)methyl)benzoic acid
| Molecular Formula | C19H16O3 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.10995 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 60049-54-9 |
|---|---|
| SMILES | COC1=CC=C(C2=CC=CC=C21)CC3=CC=CC=C3C(=O)O |
| InChIKey | DZLDQAMPFVLWLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCIStruc1_000599 (CAS 60049-54-9), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: 2-[(4-methoxynaphthalen-1-yl)methyl]benzoic acid.
Chemical Property Profile of NCIStruc1_000599
Property Insights of NCIStruc1_000599
The XLogP value of 4.6 indicates that NCIStruc1_000599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, NCIStruc1_000599 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIStruc1_000599 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 NCIStruc1_000599?
The CAS number of NCIStruc1_000599 is 60049-54-9.
What is the molecular formula of NCIStruc1_000599?
The molecular formula of NCIStruc1_000599 is C19H16O3.
What is the molecular weight of NCIStruc1_000599?
The molecular weight of NCIStruc1_000599 is 292.11 g/mol.
Where can I buy NCIStruc1_000599?
You can request a quote for NCIStruc1_000599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_000599?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_000599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.