Methyl 4-nitro-1-naphthoate
TL;DR: Methyl 4-nitro-1-naphthoate (CAS 35616-00-3) 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.
methyl 4-nitronaphthalene-1-carboxylate
Also Known As: methyl 4-nitro-1-naphthoate, methyl 4-nitronaphthalene-1-carboxylate, methyl4-nitro-1-naphthoate, 4-nitro-[1]naphthoic acid methyl ester, Methyl 4-nitro-1-naphthalenecarboxylate
| Molecular Formula | C12H9NO4 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 2.5346 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.05316 |
| Heavy Atoms | 17 |
| Complexity | 606.4772 |
Chemical Identifiers
| CAS Number | 35616-00-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C2=CC=CC=C21)[N+](=O)[O-] |
Product Overview
Methyl 4-nitro-1-naphthoate (CAS 35616-00-3), with molecular formula C12H9NO4 and molecular weight 231.05 g/mol. IUPAC: methyl 4-nitronaphthalene-1-carboxylate.
Chemical Property Profile of Methyl 4-nitro-1-naphthoate
Property Insights of Methyl 4-nitro-1-naphthoate
The XLogP value of 2.5346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-nitro-1-naphthoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-nitro-1-naphthoate. Following Lipinski's Rule of Five, Methyl 4-nitro-1-naphthoate 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 Methyl 4-nitro-1-naphthoate?
The CAS number of Methyl 4-nitro-1-naphthoate is 35616-00-3.
What is the molecular formula of Methyl 4-nitro-1-naphthoate?
The molecular formula of Methyl 4-nitro-1-naphthoate is C12H9NO4.
What is the molecular weight of Methyl 4-nitro-1-naphthoate?
The molecular weight of Methyl 4-nitro-1-naphthoate is 231.05 g/mol.
Where can I buy Methyl 4-nitro-1-naphthoate?
You can request a quote for Methyl 4-nitro-1-naphthoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-nitro-1-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-nitro-1-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.