Cyclopentyl 4-nitrobenzoate
TL;DR: Cyclopentyl 4-nitrobenzoate (CAS 6154-30-9) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 4-nitrobenzoate
Also Known As: Cyclopentyl 4-nitrobenzoate, cyclopentanol, 4-nitrobenzoate, Cyclopentyl4-nitrobenzoate, cyclopentyl-4-nitro-benzoate, Cyclopentyl 4-nitrobenzoate #
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 6154-30-9 |
|---|---|
| SMILES | C1CCC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | WPKVBNFXUGNXGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopentyl 4-nitrobenzoate (CAS 6154-30-9), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: cyclopentyl 4-nitrobenzoate.
Chemical Property Profile of Cyclopentyl 4-nitrobenzoate
Property Insights of Cyclopentyl 4-nitrobenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentyl 4-nitrobenzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopentyl 4-nitrobenzoate. Following Lipinski's Rule of Five, Cyclopentyl 4-nitrobenzoate 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 Cyclopentyl 4-nitrobenzoate?
The CAS number of Cyclopentyl 4-nitrobenzoate is 6154-30-9.
What is the molecular formula of Cyclopentyl 4-nitrobenzoate?
The molecular formula of Cyclopentyl 4-nitrobenzoate is C12H13NO4.
What is the molecular weight of Cyclopentyl 4-nitrobenzoate?
The molecular weight of Cyclopentyl 4-nitrobenzoate is 235.08 g/mol.
Where can I buy Cyclopentyl 4-nitrobenzoate?
You can request a quote for Cyclopentyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.