Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate
TL;DR: Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate (CAS 5895-91-0) is a chemical compound with molecular formula C34H46N2O6 and molecular weight 578.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate
Also Known As: Cholesta-5, 3,5-dinitrobenzoate, Dehydrocholesterol 3,5-dinitrobenzoate, Cholesta-5,7-dien-3-yl 3,5-dinitrobenzoate, Cholesta-5,7-dien-3.beta.-ol, 3,5-dinitrobenzoate, Cholesta-5, 3,5-dinitrobenzoate, (3.beta.)-
| Molecular Formula | C34H46N2O6 |
|---|---|
| Molecular Weight | 578.34 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 578.3356 |
| Heavy Atoms | 42 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 5895-91-0 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])C)C |
| InChIKey | MHKATTFAVWBPBV-UHFFFAOYSA-N |
Product Overview
Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate (CAS 5895-91-0), with molecular formula C34H46N2O6 and molecular weight 578.34 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate.
Chemical Property Profile of Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate
Property Insights of Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate
The XLogP value of 9.8 indicates that Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate?
The CAS number of Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate is 5895-91-0.
What is the molecular formula of Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate?
The molecular formula of Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate is C34H46N2O6.
What is the molecular weight of Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate?
The molecular weight of Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate is 578.34 g/mol.
Where can I buy Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate?
You can request a quote for Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cholesta-5,7-dien-3beta-ol, 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.