beta-Spathulenol
TL;DR: beta-Spathulenol (CAS 72203-24-8) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
Also Known As: Spathulenol, beta-Spathulenol, Ent-Spathulenol, (-)-Spathulenol, .beta.-Spathulenol
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 72203-24-8 |
|---|---|
| SMILES | CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C |
| InChIKey | FRMCCTDTYSRUBE-UHFFFAOYSA-N |
Product Overview
beta-Spathulenol (CAS 72203-24-8), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: 1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol.
Chemical Property Profile of beta-Spathulenol
Property Insights of beta-Spathulenol
The XLogP value of 3.1 indicates that beta-Spathulenol 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-Spathulenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Spathulenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Spathulenol?
The CAS number of beta-Spathulenol is 72203-24-8.
What is the molecular formula of beta-Spathulenol?
The molecular formula of beta-Spathulenol is C15H24O.
What is the molecular weight of beta-Spathulenol?
The molecular weight of beta-Spathulenol is 220.18 g/mol.
Where can I buy beta-Spathulenol?
You can request a quote for beta-Spathulenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Spathulenol?
Yes, KEHONG BIO provides custom synthesis services for beta-Spathulenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.