NCIOpen2_008032
TL;DR: NCIOpen2_008032 (CAS 87412-92-8) 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.
6-acetyl-7-hydroxy-3a,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e]inden-2-one
Also Known As: NCIOpen2_008032, 6-acetyl-7-hydroxy-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3h)-one, 6-acetyl-7-hydroxy-3a,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e]inden-2-one
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 87412-92-8 |
|---|---|
| SMILES | CC(=O)C1C(CC2C1(CCC3C2CCC4=CC(=O)CC34C)C)O |
| InChIKey | XKEBETFOZIMSAO-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008032 (CAS 87412-92-8), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: 6-acetyl-7-hydroxy-3a,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e]inden-2-one.
Chemical Property Profile of NCIOpen2_008032
Property Insights of NCIOpen2_008032
The XLogP value of 3.0 indicates that NCIOpen2_008032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, NCIOpen2_008032 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_008032 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 NCIOpen2_008032?
The CAS number of NCIOpen2_008032 is 87412-92-8.
What is the molecular formula of NCIOpen2_008032?
The molecular formula of NCIOpen2_008032 is C20H28O3.
What is the molecular weight of NCIOpen2_008032?
The molecular weight of NCIOpen2_008032 is 316.20 g/mol.
Where can I buy NCIOpen2_008032?
You can request a quote for NCIOpen2_008032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008032?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.