6-Nitrocholest-5-en-3-ol
TL;DR: 6-Nitrocholest-5-en-3-ol (CAS 83291-44-5) is a chemical compound with molecular formula C27H45NO3 and molecular weight 431.34 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)-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 6-Nitrocholesterol, 6-nitrocholest-5-en-3-ol, NCI60_000645, 6-(Hydroxy(oxido)amino)cholest-5-en-3-ol, 10,13-dimethyl-17-(6-methylheptan-2-yl)-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C27H45NO3 |
|---|---|
| Molecular Weight | 431.34 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.33994 |
| Heavy Atoms | 31 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 83291-44-5 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=C4C3(CCC(C4)O)C)[N+](=O)[O-])C |
| InChIKey | PGRKJDDEUNIWAZ-UHFFFAOYSA-N |
Product Overview
6-Nitrocholest-5-en-3-ol (CAS 83291-44-5), with molecular formula C27H45NO3 and molecular weight 431.34 g/mol. IUPAC: 10,13-dimethyl-17-(6-methylheptan-2-yl)-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 6-Nitrocholest-5-en-3-ol
Property Insights of 6-Nitrocholest-5-en-3-ol
The XLogP value of 8.1 indicates that 6-Nitrocholest-5-en-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitrocholest-5-en-3-ol. Following Lipinski's Rule of Five, 6-Nitrocholest-5-en-3-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Nitrocholest-5-en-3-ol?
The CAS number of 6-Nitrocholest-5-en-3-ol is 83291-44-5.
What is the molecular formula of 6-Nitrocholest-5-en-3-ol?
The molecular formula of 6-Nitrocholest-5-en-3-ol is C27H45NO3.
What is the molecular weight of 6-Nitrocholest-5-en-3-ol?
The molecular weight of 6-Nitrocholest-5-en-3-ol is 431.34 g/mol.
Where can I buy 6-Nitrocholest-5-en-3-ol?
You can request a quote for 6-Nitrocholest-5-en-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitrocholest-5-en-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitrocholest-5-en-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.