Spathulenol
TL;DR: Spathulenol (CAS 136458-42-9) 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.
(1aR,4aS,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
Also Known As: Spathulenol, (1aR,4aS,7R,7aR,7bR)-1,1,7-Trimethyl-4-methylidenedecahydro-1H-cyclopropa(e)azulen-7-ol, (1aR,4aS,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
| 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 | 136458-42-9 |
|---|---|
| SMILES | C[C@]1(CC[C@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C)O |
| InChIKey | FRMCCTDTYSRUBE-FTQJZPFOSA-N |
Product Overview
Spathulenol (CAS 136458-42-9), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: (1aR,4aS,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol.
Chemical Property Profile of Spathulenol
Property Insights of Spathulenol
The XLogP value of 3.1 indicates that 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, Spathulenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Spathulenol?
The CAS number of Spathulenol is 136458-42-9.
What is the molecular formula of Spathulenol?
The molecular formula of Spathulenol is C15H24O.
What is the molecular weight of Spathulenol?
The molecular weight of Spathulenol is 220.18 g/mol.
Where can I buy Spathulenol?
You can request a quote for Spathulenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spathulenol?
Yes, KEHONG BIO provides custom synthesis services for Spathulenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.