Cholest-5-en-3-ol (3beta)-, 3-nitrate
TL;DR: Cholest-5-en-3-ol (3beta)-, 3-nitrate (CAS 3255-05-8) 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.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nitrate
Also Known As: Cholesterol nitrate, Cholest-5-en-3-yl nitrate, Cholest-5-en-3beta-ol nitrate, (3, A)-cholest-5-en-3-yl nitrate
| Molecular Formula | C27H45NO3 |
|---|---|
| Molecular Weight | 431.34 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.33994 |
| Heavy Atoms | 31 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 3255-05-8 |
|---|---|
| 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)O[N+](=O)[O-])C)C |
| InChIKey | YYFZLFRYFOLELG-DPAQBDIFSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholest-5-en-3-ol (3beta)-, 3-nitrate (CAS 3255-05-8), with molecular formula C27H45NO3 and molecular weight 431.34 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nitrate.
Chemical Property Profile of Cholest-5-en-3-ol (3beta)-, 3-nitrate
Property Insights of Cholest-5-en-3-ol (3beta)-, 3-nitrate
The XLogP value of 9.5 indicates that Cholest-5-en-3-ol (3beta)-, 3-nitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Cholest-5-en-3-ol (3beta)-, 3-nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-ol (3beta)-, 3-nitrate has 0 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 Cholest-5-en-3-ol (3beta)-, 3-nitrate?
The CAS number of Cholest-5-en-3-ol (3beta)-, 3-nitrate is 3255-05-8.
What is the molecular formula of Cholest-5-en-3-ol (3beta)-, 3-nitrate?
The molecular formula of Cholest-5-en-3-ol (3beta)-, 3-nitrate is C27H45NO3.
What is the molecular weight of Cholest-5-en-3-ol (3beta)-, 3-nitrate?
The molecular weight of Cholest-5-en-3-ol (3beta)-, 3-nitrate is 431.34 g/mol.
Where can I buy Cholest-5-en-3-ol (3beta)-, 3-nitrate?
You can request a quote for Cholest-5-en-3-ol (3beta)-, 3-nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-5-en-3-ol (3beta)-, 3-nitrate?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-ol (3beta)-, 3-nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.