Benzoic acid, 4-nitro, allyl ester
TL;DR: Benzoic acid, 4-nitro, allyl ester (CAS 15727-80-7) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-nitrobenzoate
Also Known As: Allyl 4-nitrobenzoate, 2-Propenyl 4-nitrobenzoate, prop-2-enyl 4-nitrobenzoate, Allyl4-nitrobenzoate, allyl p-nitrobenzoate
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 15727-80-7 |
|---|---|
| SMILES | C=CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | FNAOSVAQWXBRLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-nitro, allyl ester (CAS 15727-80-7), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: prop-2-enyl 4-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 4-nitro, allyl ester
Property Insights of Benzoic acid, 4-nitro, allyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-nitro, allyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-nitro, allyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-nitro, allyl 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 Benzoic acid, 4-nitro, allyl ester?
The CAS number of Benzoic acid, 4-nitro, allyl ester is 15727-80-7.
What is the molecular formula of Benzoic acid, 4-nitro, allyl ester?
The molecular formula of Benzoic acid, 4-nitro, allyl ester is C10H9NO4.
What is the molecular weight of Benzoic acid, 4-nitro, allyl ester?
The molecular weight of Benzoic acid, 4-nitro, allyl ester is 207.05 g/mol.
Where can I buy Benzoic acid, 4-nitro, allyl ester?
You can request a quote for Benzoic acid, 4-nitro, allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-nitro, allyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-nitro, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.