β-香树素
TL;DR: β-香树素 (CAS 559-70-6) is a chemical compound with molecular formula C30H50O and molecular weight 426.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-香树素
(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
Also Known As: beta-Amyrin, Amyrin, beta-Amyrenol, A-amyrin, Olean-12-en-3beta-ol
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.39 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 559-70-6 |
|---|---|
| SMILES | C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C |
| InChIKey | JFSHUTJDVKUMTJ-QHPUVITPSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
β-香树素 (CAS 559-70-6), with molecular formula C30H50O and molecular weight 426.39 g/mol. IUPAC: (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol.
Chemical Property Profile of β-香树素
Property Insights of β-香树素
The XLogP value of 9.2 indicates that β-香树素 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-香树素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-香树素 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-香树素?
The CAS number of β-香树素 is 559-70-6.
What is the molecular formula of β-香树素?
The molecular formula of β-香树素 is C30H50O.
What is the molecular weight of β-香树素?
The molecular weight of β-香树素 is 426.39 g/mol.
Where can I buy β-香树素?
You can request a quote for β-香树素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-香树素?
Yes, KEHONG BIO provides custom synthesis services for β-香树素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.