NCIOpen2_008836
TL;DR: NCIOpen2_008836 (CAS 5323-23-9) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3a,5b-dimethyl-3-oxo-2,4,5,5a,6,7,8,9,10a,10b-decahydro-1H-cyclopenta[a]fluoren-8-yl) acetate
Also Known As: NCIOpen2_008836, 3a,5b-dimethyl-3-oxo-1,2,3,3a,4,5,5a,5b,6,7,8,9,10a,10b-tetradecahydrocyclopenta[a]fluoren-8-yl acetate, Cyclopentanecarboxaldehyde,2-[(tetrahydro-2H-pyran-2-yl)oxy], (3a,5b-dimethyl-3-oxo-2,4,5,5a,6,7,8,9,10a,10b-decahydro-1H-cyclopenta[a]fluoren-8-yl) acetate
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 5323-23-9 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C3CCC4(C(C3C=C2C1)CCC4=O)C)C |
| InChIKey | QMCLGDBCODWMRX-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008836 (CAS 5323-23-9), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: (3a,5b-dimethyl-3-oxo-2,4,5,5a,6,7,8,9,10a,10b-decahydro-1H-cyclopenta[a]fluoren-8-yl) acetate.
Chemical Property Profile of NCIOpen2_008836
Property Insights of NCIOpen2_008836
The XLogP value of 3.2 indicates that NCIOpen2_008836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, NCIOpen2_008836 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_008836 has 0 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 NCIOpen2_008836?
The CAS number of NCIOpen2_008836 is 5323-23-9.
What is the molecular formula of NCIOpen2_008836?
The molecular formula of NCIOpen2_008836 is C20H28O3.
What is the molecular weight of NCIOpen2_008836?
The molecular weight of NCIOpen2_008836 is 316.20 g/mol.
Where can I buy NCIOpen2_008836?
You can request a quote for NCIOpen2_008836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008836?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.