7alpha-Hydroxysitosterol
TL;DR: 7alpha-Hydroxysitosterol (CAS 39110-74-2) is a chemical compound with molecular formula C29H50O2 and molecular weight 430.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Also Known As: Ikshusterol, Hydroxysitosterol, 7-hydroxysitosterol, 7alpha-Hydroxysitosterol, stigmast-5-ene-3beta,7alpha-diol
| Molecular Formula | C29H50O2 |
|---|---|
| Molecular Weight | 430.38 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.38107 |
| Heavy Atoms | 31 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 39110-74-2 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)C(C)C |
| InChIKey | SXJVFYZNUGGHRG-GDDJFQTCSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7alpha-Hydroxysitosterol (CAS 39110-74-2), with molecular formula C29H50O2 and molecular weight 430.38 g/mol. IUPAC: (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol.
Chemical Property Profile of 7alpha-Hydroxysitosterol
Property Insights of 7alpha-Hydroxysitosterol
The XLogP value of 8.2 indicates that 7alpha-Hydroxysitosterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 7alpha-Hydroxysitosterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7alpha-Hydroxysitosterol has 2 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 7alpha-Hydroxysitosterol?
The CAS number of 7alpha-Hydroxysitosterol is 39110-74-2.
What is the molecular formula of 7alpha-Hydroxysitosterol?
The molecular formula of 7alpha-Hydroxysitosterol is C29H50O2.
What is the molecular weight of 7alpha-Hydroxysitosterol?
The molecular weight of 7alpha-Hydroxysitosterol is 430.38 g/mol.
Where can I buy 7alpha-Hydroxysitosterol?
You can request a quote for 7alpha-Hydroxysitosterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7alpha-Hydroxysitosterol?
Yes, KEHONG BIO provides custom synthesis services for 7alpha-Hydroxysitosterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.