胆固醇-4-硝基苯甲酸酯
TL;DR: 胆固醇-4-硝基苯甲酸酯 (CAS 23838-12-2) is a chemical compound with molecular formula C34H49NO4 and molecular weight 535.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胆固醇-4-硝基苯甲酸酯
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate
Also Known As: Cholesteryl 4-fluorobenzoate, Cholest-5-en-3beta-yl p-nitrobenzoate, Cholesteryl 4-nitrobenzoate, Cholesteryl-p-fluorobenzoate, cholest-5-en-3-yl 4-nitrobenzoate
| Molecular Formula | C34H49NO4 |
|---|---|
| Molecular Weight | 535.37 g/mol |
| LogP | 10.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.36615 |
| Heavy Atoms | 39 |
| Complexity | 930.0 |
Chemical Identifiers
| CAS Number | 23838-12-2 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C)C |
| InChIKey | MCSXGHLTXBACQB-UHFFFAOYSA-N |
Product Overview
胆固醇-4-硝基苯甲酸酯 (CAS 23838-12-2), with molecular formula C34H49NO4 and molecular weight 535.37 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate.
Chemical Property Profile of 胆固醇-4-硝基苯甲酸酯
Property Insights of 胆固醇-4-硝基苯甲酸酯
The XLogP value of 10.6 indicates that 胆固醇-4-硝基苯甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 胆固醇-4-硝基苯甲酸酯. Following Lipinski's Rule of Five, 胆固醇-4-硝基苯甲酸酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 胆固醇-4-硝基苯甲酸酯?
The CAS number of 胆固醇-4-硝基苯甲酸酯 is 23838-12-2.
What is the molecular formula of 胆固醇-4-硝基苯甲酸酯?
The molecular formula of 胆固醇-4-硝基苯甲酸酯 is C34H49NO4.
What is the molecular weight of 胆固醇-4-硝基苯甲酸酯?
The molecular weight of 胆固醇-4-硝基苯甲酸酯 is 535.37 g/mol.
Where can I buy 胆固醇-4-硝基苯甲酸酯?
You can request a quote for 胆固醇-4-硝基苯甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胆固醇-4-硝基苯甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 胆固醇-4-硝基苯甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.