Roseatoxide
TL;DR: Roseatoxide (CAS 90706-57-3) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-2,10,13-trimethyl-7-propan-2-yl-3-oxatetracyclo[10.3.0.02,4.06,10]pentadec-12-en-9-one
Also Known As: Roseatoxide, 8a-hydroxy-1a,4,5a-trimethyl-8-(propan-2-yl)-1b,2,3,5,5a,7,8,8a,9,9a-decahydrodicyclopenta[3,4:6,7]cycloocta[1,2-b]oxiren-6(1ah)-one, Dicyclopenta(3,4:6,7)cyclooct(1,2-b)oxiren-6- (1bH)-one, 1a,2,3,5,5a,7,8,8a,9,9a-decahydro- 8a-hydroxy-1a,4,5a-trimethyl-8-(1-methylethyl)-
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.21948 |
| Heavy Atoms | 23 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 90706-57-3 |
|---|---|
| SMILES | CC1=C2CC3(C(=O)CC(C3(CC4C(C2CC1)(O4)C)O)C(C)C)C |
| InChIKey | IHPNQAPFMSFVLC-UHFFFAOYSA-N |
Product Overview
Roseatoxide (CAS 90706-57-3), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: 6-hydroxy-2,10,13-trimethyl-7-propan-2-yl-3-oxatetracyclo[10.3.0.02,4.06,10]pentadec-12-en-9-one.
Chemical Property Profile of Roseatoxide
Property Insights of Roseatoxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roseatoxide. With a topological polar surface area (TPSA) of 49.8 Ų, Roseatoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Roseatoxide has 1 hydrogen bond donor(s) and 3 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 Roseatoxide?
The CAS number of Roseatoxide is 90706-57-3.
What is the molecular formula of Roseatoxide?
The molecular formula of Roseatoxide is C20H30O3.
What is the molecular weight of Roseatoxide?
The molecular weight of Roseatoxide is 318.22 g/mol.
Where can I buy Roseatoxide?
You can request a quote for Roseatoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roseatoxide?
Yes, KEHONG BIO provides custom synthesis services for Roseatoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.