1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one
TL;DR: 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one (CAS 3586-86-5) is a chemical compound with molecular formula C14H16O and molecular weight 200.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,4a,9a,10-hexahydro-1H-anthracen-9-one
Also Known As: 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one, 6,7,8,8a,10,10a-hexahydro-5H-anthracen-9-one, 2,3,4,4a,9a,10-hexahydro-1H-anthracen-9-one, 9-keto-1,2,3,4,4a,9,9a,10-octahydroanthracene, RefChem:216768
| Molecular Formula | C14H16O |
|---|---|
| Molecular Weight | 200.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.12012 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 3586-86-5 |
|---|---|
| SMILES | C1CCC2C(C1)CC3=CC=CC=C3C2=O |
| InChIKey | QOTCSCVHPPXXQB-UHFFFAOYSA-N |
Product Overview
1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one (CAS 3586-86-5), with molecular formula C14H16O and molecular weight 200.12 g/mol. IUPAC: 2,3,4,4a,9a,10-hexahydro-1H-anthracen-9-one.
Chemical Property Profile of 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one
Property Insights of 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one
The XLogP value of 3.7 indicates that 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one has 0 hydrogen bond donor(s) and 1 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 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one?
The CAS number of 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one is 3586-86-5.
What is the molecular formula of 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one?
The molecular formula of 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one is C14H16O.
What is the molecular weight of 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one?
The molecular weight of 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one is 200.12 g/mol.
Where can I buy 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one?
You can request a quote for 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.