无羁萜
TL;DR: 无羁萜 (CAS 559-74-0) 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.
无羁萜
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
Also Known As: Friedelin, Friedeline, Friedelan-3-one, friedelanone, 3-friedelanone
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.39 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 559-74-0 |
|---|---|
| SMILES | C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C |
| InChIKey | OFMXGFHWLZPCFL-SVRPQWSVSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
无羁萜 (CAS 559-74-0), with molecular formula C30H50O and molecular weight 426.39 g/mol. IUPAC: (4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one.
Chemical Property Profile of 无羁萜
Property Insights of 无羁萜
The XLogP value of 9.8 indicates that 无羁萜 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 无羁萜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 无羁萜 has 0 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 无羁萜?
The CAS number of 无羁萜 is 559-74-0.
What is the molecular formula of 无羁萜?
The molecular formula of 无羁萜 is C30H50O.
What is the molecular weight of 无羁萜?
The molecular weight of 无羁萜 is 426.39 g/mol.
Where can I buy 无羁萜?
You can request a quote for 无羁萜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 无羁萜?
Yes, KEHONG BIO provides custom synthesis services for 无羁萜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.