7-Ketositosterol
TL;DR: 7-Ketositosterol (CAS 145163-97-9) is a chemical compound with molecular formula C29H48O2 and molecular weight 428.37 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)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Also Known As: 7-oxo-beta-sitosterol, 7-Ketositosterol, 7-Oxositosterol, 3-Hydroxystigmast-5-en-7-one, 7-Keto--sitosterol
| Molecular Formula | C29H48O2 |
|---|---|
| Molecular Weight | 428.37 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.36542 |
| Heavy Atoms | 31 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 145163-97-9 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C |
| InChIKey | ICFXJOAKQGDRCT-ZIHMWMKCSA-N |
Product Overview
7-Ketositosterol (CAS 145163-97-9), with molecular formula C29H48O2 and molecular weight 428.37 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one.
Chemical Property Profile of 7-Ketositosterol
Property Insights of 7-Ketositosterol
The XLogP value of 8.3 indicates that 7-Ketositosterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 7-Ketositosterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Ketositosterol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Ketositosterol?
The CAS number of 7-Ketositosterol is 145163-97-9.
What is the molecular formula of 7-Ketositosterol?
The molecular formula of 7-Ketositosterol is C29H48O2.
What is the molecular weight of 7-Ketositosterol?
The molecular weight of 7-Ketositosterol is 428.37 g/mol.
Where can I buy 7-Ketositosterol?
You can request a quote for 7-Ketositosterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ketositosterol?
Yes, KEHONG BIO provides custom synthesis services for 7-Ketositosterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.