4-Nitronaphthalene-1-acetic acid
TL;DR: 4-Nitronaphthalene-1-acetic acid (CAS 89278-25-1) is a chemical compound with molecular formula C12H9NO4 and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitronaphthalen-1-yl)acetic acid
Also Known As: 4-Nitronaphthalene-1-acetic acid, 2-(4-nitronaphthalen-1-yl)acetic acid, 4-Nitro-1-naphthalene acetic acid, 4-nitro-1-naphthaleneacetic acid, 1-Naphthaleneaceticacid, 4-nitro-
| Molecular Formula | C12H9NO4 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 2.3751 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.05316 |
| Heavy Atoms | 17 |
| Complexity | 606.4772 |
Chemical Identifiers
| CAS Number | 89278-25-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])CC(=O)O |
Product Overview
4-Nitronaphthalene-1-acetic acid (CAS 89278-25-1), with molecular formula C12H9NO4 and molecular weight 231.05 g/mol. IUPAC: 2-(4-nitronaphthalen-1-yl)acetic acid.
Chemical Property Profile of 4-Nitronaphthalene-1-acetic acid
Property Insights of 4-Nitronaphthalene-1-acetic acid
The XLogP value of 2.3751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitronaphthalene-1-acetic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitronaphthalene-1-acetic acid. Following Lipinski's Rule of Five, 4-Nitronaphthalene-1-acetic acid 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-Nitronaphthalene-1-acetic acid?
The CAS number of 4-Nitronaphthalene-1-acetic acid is 89278-25-1.
What is the molecular formula of 4-Nitronaphthalene-1-acetic acid?
The molecular formula of 4-Nitronaphthalene-1-acetic acid is C12H9NO4.
What is the molecular weight of 4-Nitronaphthalene-1-acetic acid?
The molecular weight of 4-Nitronaphthalene-1-acetic acid is 231.05 g/mol.
Where can I buy 4-Nitronaphthalene-1-acetic acid?
You can request a quote for 4-Nitronaphthalene-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitronaphthalene-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitronaphthalene-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.