6-Nitrocholest-5-en-3-beta-yl acetate
TL;DR: 6-Nitrocholest-5-en-3-beta-yl acetate (CAS 1912-54-5) is a chemical compound with molecular formula C29H47NO4 and molecular weight 473.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 6-Nitrocholesteryl acetate, 6-Nitrocholest-5-en-3-beta-yl acetate, 3beta-Acetoxy-6-nitrocholestene-5, 6-Nitrocholest-5-en-3-yl acetate, 6-Nitrocholest-5-en-3-yl acetate #
| Molecular Formula | C29H47NO4 |
|---|---|
| Molecular Weight | 473.35 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.3505 |
| Heavy Atoms | 34 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 1912-54-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)[N+](=O)[O-])C |
| InChIKey | HBNDZPJHNAAEAB-XGRWYXQASA-N |
Product Overview
6-Nitrocholest-5-en-3-beta-yl acetate (CAS 1912-54-5), with molecular formula C29H47NO4 and molecular weight 473.35 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 6-Nitrocholest-5-en-3-beta-yl acetate
Property Insights of 6-Nitrocholest-5-en-3-beta-yl acetate
The XLogP value of 8.7 indicates that 6-Nitrocholest-5-en-3-beta-yl acetate 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 6-Nitrocholest-5-en-3-beta-yl acetate. Following Lipinski's Rule of Five, 6-Nitrocholest-5-en-3-beta-yl acetate 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 6-Nitrocholest-5-en-3-beta-yl acetate?
The CAS number of 6-Nitrocholest-5-en-3-beta-yl acetate is 1912-54-5.
What is the molecular formula of 6-Nitrocholest-5-en-3-beta-yl acetate?
The molecular formula of 6-Nitrocholest-5-en-3-beta-yl acetate is C29H47NO4.
What is the molecular weight of 6-Nitrocholest-5-en-3-beta-yl acetate?
The molecular weight of 6-Nitrocholest-5-en-3-beta-yl acetate is 473.35 g/mol.
Where can I buy 6-Nitrocholest-5-en-3-beta-yl acetate?
You can request a quote for 6-Nitrocholest-5-en-3-beta-yl acetate 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-beta-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitrocholest-5-en-3-beta-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.