9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one
TL;DR: 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one (CAS 127861-40-9) is a chemical compound with molecular formula C21H16O3 and molecular weight 316.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,10-dihydroxy-3-methyl-9,10-dihydro-1H-benzo[j]aceanthrylen-2-one
Also Known As: 9,10-Dihydroxy-3MC-2-one, 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one, 9,10-dihydroxy-3-methyl-9,10-dihydro-1H-benzo[j]aceanthrylen-2-one, Benz[j]aceanthrylen-2(1H)-one,9,10-dihydro-9,10-dihydroxy-3-methyl-, (9R-trans)- (9CI), 9,10-Dihydroxy-3-methyl-9,10-dihydrocyclopenta[ij]tetraphen-2(1H)-one
Technical Specifications
| Molecular Formula | C21H16O3 |
| Molecular Weight | 316.10995 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 316.10995 Da |
| Heavy Atoms | 24 |
| Complexity | 569.0 |
| SMILES | CC1=C2C(=O)CC3=C2C(=CC4=C3C=CC5=C4C=CC(C5O)O)C=C1 |
| InChIKey | UALOIRUKSTWXFU-UHFFFAOYSA-N |
Chemical Property Profile of 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one
Property Insights of 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one
The XLogP value of 3.1 indicates that 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one?
The CAS number of 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one is 127861-40-9.
What is the molecular formula of 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one?
The molecular formula of 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one is C21H16O3.
What is the molecular weight of 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one?
The molecular weight of 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one is 316.10995 g/mol.
Where can I buy 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one?
You can request a quote for 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one?
Yes, CoreyChem provides custom synthesis services for 9,10-Dihydroxy-9,10-dihydro-3-methylcholanthrene-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.