AN-584/43416481
TL;DR: AN-584/43416481 (CAS 344296-45-3) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 3-Acetyltropolone, 3-acetyl-2-hydroxy-2,4,6-cycloheptatrien-1-one, 3-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one, 3-acetyl-2-hydroxy-, AN-584/43416481
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 0.955 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 368.49808 |
Chemical Identifiers
| CAS Number | 344296-45-3 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)C=CC=C1)O |
Product Overview
AN-584/43416481 (CAS 344296-45-3), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 3-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of AN-584/43416481
Property Insights of AN-584/43416481
The XLogP value of 0.955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-584/43416481. With a topological polar surface area (TPSA) of 54.37 Ų, AN-584/43416481 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-584/43416481 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 AN-584/43416481?
The CAS number of AN-584/43416481 is 344296-45-3.
What is the molecular formula of AN-584/43416481?
The molecular formula of AN-584/43416481 is C9H8O3.
What is the molecular weight of AN-584/43416481?
The molecular weight of AN-584/43416481 is 164.05 g/mol.
Where can I buy AN-584/43416481?
You can request a quote for AN-584/43416481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-584/43416481?
Yes, KEHONG BIO provides custom synthesis services for AN-584/43416481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.