beta-Simiarenol
TL;DR: beta-Simiarenol (CAS 1615-94-7) 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.
3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
Also Known As: Simiarenol, .beta.-Simiarenol, Simiaren-3.beta.-ol, E:B-Friedohop-5-en-3.beta.-ol, D:B-Friedo-B':A'-neogammacer-5-en-3.beta.-ol
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.39 g/mol |
| LogP | 9.0 |
| 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 | 777.0 |
Chemical Identifiers
| CAS Number | 1615-94-7 |
|---|---|
| SMILES | CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CC=C5C4CCC(C5(C)C)O)C)C)C)C |
| InChIKey | XVXPXUMUGATHPD-UHFFFAOYSA-N |
Product Overview
beta-Simiarenol (CAS 1615-94-7), with molecular formula C30H50O and molecular weight 426.39 g/mol. IUPAC: 3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol.
Chemical Property Profile of beta-Simiarenol
Property Insights of beta-Simiarenol
The XLogP value of 9.0 indicates that beta-Simiarenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, beta-Simiarenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Simiarenol 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 beta-Simiarenol?
The CAS number of beta-Simiarenol is 1615-94-7.
What is the molecular formula of beta-Simiarenol?
The molecular formula of beta-Simiarenol is C30H50O.
What is the molecular weight of beta-Simiarenol?
The molecular weight of beta-Simiarenol is 426.39 g/mol.
Where can I buy beta-Simiarenol?
You can request a quote for beta-Simiarenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Simiarenol?
Yes, KEHONG BIO provides custom synthesis services for beta-Simiarenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.