1-Naphthylacetic Acid 4-Nitrophenyl Ester
TL;DR: 1-Naphthylacetic Acid 4-Nitrophenyl Ester (CAS 51537-87-2) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-naphthalen-1-ylacetate
Also Known As: 1-Naphthylacetic Acid 4-Nitrophenyl Ester, 4-Nitrophenyl 1-Naphthylacetate, (4-nitrophenyl) 2-naphthalen-1-ylacetate, 4-Nitrophenyl (naphthalen-1-yl)acetate, 1-Naphthaleneacetic Acid 4-Nitrophenyl Ester
| Molecular Formula | C18H13NO4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.8961 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.08447 |
| Heavy Atoms | 23 |
| Complexity | 866.3338 |
Chemical Identifiers
| CAS Number | 51537-87-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CC(=O)OC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-Naphthylacetic Acid 4-Nitrophenyl Ester (CAS 51537-87-2), with molecular formula C18H13NO4 and molecular weight 307.08 g/mol. IUPAC: (4-nitrophenyl) 2-naphthalen-1-ylacetate.
Chemical Property Profile of 1-Naphthylacetic Acid 4-Nitrophenyl Ester
Property Insights of 1-Naphthylacetic Acid 4-Nitrophenyl Ester
The XLogP value of 3.8961 indicates that 1-Naphthylacetic Acid 4-Nitrophenyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Naphthylacetic Acid 4-Nitrophenyl Ester. Following Lipinski's Rule of Five, 1-Naphthylacetic Acid 4-Nitrophenyl Ester has 0 hydrogen bond donor(s) and 4 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 1-Naphthylacetic Acid 4-Nitrophenyl Ester?
The CAS number of 1-Naphthylacetic Acid 4-Nitrophenyl Ester is 51537-87-2.
What is the molecular formula of 1-Naphthylacetic Acid 4-Nitrophenyl Ester?
The molecular formula of 1-Naphthylacetic Acid 4-Nitrophenyl Ester is C18H13NO4.
What is the molecular weight of 1-Naphthylacetic Acid 4-Nitrophenyl Ester?
The molecular weight of 1-Naphthylacetic Acid 4-Nitrophenyl Ester is 307.08 g/mol.
Where can I buy 1-Naphthylacetic Acid 4-Nitrophenyl Ester?
You can request a quote for 1-Naphthylacetic Acid 4-Nitrophenyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthylacetic Acid 4-Nitrophenyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthylacetic Acid 4-Nitrophenyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.