羽扇豆醇
TL;DR: 羽扇豆醇 (CAS 545-47-1) 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.
羽扇豆醇
(1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Also Known As: Lupeol, Fagarsterol, Lupenol, Fagarasterol, Clerodol
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.39 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 545-47-1 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4(C3(CC2)C)C)(C)C)O)C)C |
| InChIKey | MQYXUWHLBZFQQO-JGGBMTAGSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羽扇豆醇 (CAS 545-47-1), with molecular formula C30H50O and molecular weight 426.39 g/mol. IUPAC: (1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol.
Chemical Property Profile of 羽扇豆醇
Property Insights of 羽扇豆醇
The XLogP value of 9.9 indicates that 羽扇豆醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 羽扇豆醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羽扇豆醇 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 羽扇豆醇?
The CAS number of 羽扇豆醇 is 545-47-1.
What is the molecular formula of 羽扇豆醇?
The molecular formula of 羽扇豆醇 is C30H50O.
What is the molecular weight of 羽扇豆醇?
The molecular weight of 羽扇豆醇 is 426.39 g/mol.
Where can I buy 羽扇豆醇?
You can request a quote for 羽扇豆醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羽扇豆醇?
Yes, KEHONG BIO provides custom synthesis services for 羽扇豆醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.