17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one
TL;DR: 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one (CAS 21106-06-9) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-methylpentacyclo[11.3.1.01,13.02,10.05,9]heptadecan-14-one
Also Known As: 17-hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 21106-06-9 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2O)CCC45C3(C4)CCC5=O |
| InChIKey | ALLTUQINDNNHAC-UHFFFAOYSA-N |
Product Overview
17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one (CAS 21106-06-9), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: 6-hydroxy-5-methylpentacyclo[11.3.1.01,13.02,10.05,9]heptadecan-14-one.
Chemical Property Profile of 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one
Property Insights of 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one. With a topological polar surface area (TPSA) of 37.3 Ų, 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one has 1 hydrogen bond donor(s) and 2 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 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one?
The CAS number of 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one is 21106-06-9.
What is the molecular formula of 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one?
The molecular formula of 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one is C18H26O2.
What is the molecular weight of 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one?
The molecular weight of 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one is 274.19 g/mol.
Where can I buy 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one?
You can request a quote for 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-1,5:1,9-dicyclo-9,10-secoestran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.