Β-谷固醇
TL;DR: Β-谷固醇 (CAS 83-46-5) is a chemical compound with molecular formula C29H50O and molecular weight 414.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Β-谷固醇
17-(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]phenanthren-3-ol
Also Known As: Phytosterols, BETA-SITOSTEROL, Sitosterol, B-Sitosterol, Azuprostat
| Molecular Formula | C29H50O |
|---|---|
| Molecular Weight | 414.39 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.38617 |
| Heavy Atoms | 30 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 83-46-5 |
|---|---|
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
| InChIKey | KZJWDPNRJALLNS-UHFFFAOYSA-N |
Product Overview
Β-谷固醇 (CAS 83-46-5), with molecular formula C29H50O and molecular weight 414.39 g/mol. IUPAC: 17-(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]phenanthren-3-ol.
Chemical Property Profile of Β-谷固醇
Property Insights of Β-谷固醇
The XLogP value of 9.3 indicates that Β-谷固醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Β-谷固醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Β-谷固醇 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Β-谷固醇?
The CAS number of Β-谷固醇 is 83-46-5.
What is the molecular formula of Β-谷固醇?
The molecular formula of Β-谷固醇 is C29H50O.
What is the molecular weight of Β-谷固醇?
The molecular weight of Β-谷固醇 is 414.39 g/mol.
Where can I buy Β-谷固醇?
You can request a quote for Β-谷固醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Β-谷固醇?
Yes, KEHONG BIO provides custom synthesis services for Β-谷固醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.