Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-
TL;DR: Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo- (CAS 37707-77-0) is a chemical compound with molecular formula C16H19NO5 and molecular weight 305.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-cyclohexyl-3-nitrophenyl)-4-oxobutanoic acid
Also Known As: 4-(4-cyclohexyl-3-nitrophenyl)-4-oxobutanoic acid, Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-, 4-Cyclohexyl-3-nitro-gamma-oxobenzenebutanoic acid, BRN 2396196, RefChem:324407
| Molecular Formula | C16H19NO5 |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.1263 |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 37707-77-0 |
|---|---|
| SMILES | C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)O)[N+](=O)[O-] |
| InChIKey | DEULGGHKUPRTPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo- (CAS 37707-77-0), with molecular formula C16H19NO5 and molecular weight 305.13 g/mol. IUPAC: 4-(4-cyclohexyl-3-nitrophenyl)-4-oxobutanoic acid.
Chemical Property Profile of Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-
Property Insights of Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-
The XLogP value of 3.4 indicates that Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-. Following Lipinski's Rule of Five, Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo- has 1 hydrogen bond donor(s) and 5 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 Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-?
The CAS number of Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo- is 37707-77-0.
What is the molecular formula of Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-?
The molecular formula of Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo- is C16H19NO5.
What is the molecular weight of Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-?
The molecular weight of Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo- is 305.13 g/mol.
Where can I buy Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-?
You can request a quote for Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.