(4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one
TL;DR: (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one (CAS 470686-64-7) is a chemical compound with molecular formula C14H14O and molecular weight 198.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,9aS)-4,4a,9a,10-tetrahydro-1H-anthracen-9-one
Also Known As: (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one, (4aR,9aS)-4,4a,9a,10-tetrahydro-1H-anthracen-9-one
| Molecular Formula | C14H14O |
|---|---|
| Molecular Weight | 198.10 g/mol |
| LogP | 3.0078 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.10446 |
| Heavy Atoms | 15 |
| Complexity | 430.71976 |
Chemical Identifiers
| CAS Number | 470686-64-7 |
|---|---|
| SMILES | C1C=CC[C@H]2[C@H]1CC3=CC=CC=C3C2=O |
Product Overview
(4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one (CAS 470686-64-7), with molecular formula C14H14O and molecular weight 198.10 g/mol. IUPAC: (4aR,9aS)-4,4a,9a,10-tetrahydro-1H-anthracen-9-one.
Chemical Property Profile of (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one
Property Insights of (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one
The XLogP value of 3.0078 indicates that (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-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 (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one?
The CAS number of (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one is 470686-64-7.
What is the molecular formula of (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one?
The molecular formula of (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one is C14H14O.
What is the molecular weight of (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one?
The molecular weight of (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one is 198.10 g/mol.
Where can I buy (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one?
You can request a quote for (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (4aR,9aS)-1,4a,9a,10-tetrahydroanthracen-9(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.