Methyl 4-nitrosobenzoate
TL;DR: Methyl 4-nitrosobenzoate (CAS 13170-28-0) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-nitrosobenzoate
Also Known As: Methyl 4-nitrosobenzoate, methyl p-nitrosobenzoate, Methyl 4-nitrosobenzoate #, 4-Nitrosobenzoic acid methyl ester, Benzoic acid, 4-nitroso-, methyl ester
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 13170-28-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=O |
| InChIKey | CAFWWZWJFFJXTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-nitrosobenzoate (CAS 13170-28-0), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: methyl 4-nitrosobenzoate.
Chemical Property Profile of Methyl 4-nitrosobenzoate
Property Insights of Methyl 4-nitrosobenzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-nitrosobenzoate. With a topological polar surface area (TPSA) of 55.7 Ų, Methyl 4-nitrosobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-nitrosobenzoate 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-nitrosobenzoate?
The CAS number of Methyl 4-nitrosobenzoate is 13170-28-0.
What is the molecular formula of Methyl 4-nitrosobenzoate?
The molecular formula of Methyl 4-nitrosobenzoate is C8H7NO3.
What is the molecular weight of Methyl 4-nitrosobenzoate?
The molecular weight of Methyl 4-nitrosobenzoate is 165.04 g/mol.
Where can I buy Methyl 4-nitrosobenzoate?
You can request a quote for Methyl 4-nitrosobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-nitrosobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-nitrosobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.