Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)
TL;DR: Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate) (CAS 62654-06-2) is a chemical compound with molecular formula C30H47F3O3 and molecular weight 512.35 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]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroethyl carbonate
Also Known As: KST-1A7023, Cholest-5-en-3-ol (3beta)-, 2,2,2-trifluoroethyl carbonate, (3, A)-cholest-5-en-3-yl 2,2,2-trifluoroethyl carbonate, Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)
| Molecular Formula | C30H47F3O3 |
|---|---|
| Molecular Weight | 512.35 g/mol |
| LogP | 10.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.3477 |
| Heavy Atoms | 36 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 62654-06-2 |
|---|---|
| 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)OCC(F)(F)F)C)C |
| InChIKey | KOVRJXLBYGVOHW-OHPSOFBHSA-N |
Product Overview
Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate) (CAS 62654-06-2), with molecular formula C30H47F3O3 and molecular weight 512.35 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] 2,2,2-trifluoroethyl carbonate.
Chemical Property Profile of Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)
Property Insights of Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)
The XLogP value of 10.6 indicates that Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate) 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 Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)?
The CAS number of Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate) is 62654-06-2.
What is the molecular formula of Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)?
The molecular formula of Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate) is C30H47F3O3.
What is the molecular weight of Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)?
The molecular weight of Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate) is 512.35 g/mol.
Where can I buy Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)?
You can request a quote for Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate) 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-(2,2,2-trifluoroethyl carbonate)?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.