Azulene, 1,3-diacetyl-4,6,8-trimethyl-
TL;DR: Azulene, 1,3-diacetyl-4,6,8-trimethyl- (CAS 841-71-4) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-4,6,8-trimethylazulen-1-yl)ethanone
Also Known As: Azulene, 1,3-diacetyl-4,6,8-trimethyl-, Azulene,1,3-diacetyl-4,6,8-trimethyl-, 1-(3-acetyl-4,6,8-trimethylazulen-1-yl)ethanone, 1,1'-(4,6,8-Trimethylazulene-1,3-diyl)di(ethan-1-one)
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 841-71-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=CC(=C2C(=C1)C)C(=O)C)C(=O)C)C |
| InChIKey | XXBLTMPMMXJBFB-UHFFFAOYSA-N |
Product Overview
Azulene, 1,3-diacetyl-4,6,8-trimethyl- (CAS 841-71-4), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 1-(3-acetyl-4,6,8-trimethylazulen-1-yl)ethanone.
Chemical Property Profile of Azulene, 1,3-diacetyl-4,6,8-trimethyl-
Property Insights of Azulene, 1,3-diacetyl-4,6,8-trimethyl-
The XLogP value of 3.4 indicates that Azulene, 1,3-diacetyl-4,6,8-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Azulene, 1,3-diacetyl-4,6,8-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azulene, 1,3-diacetyl-4,6,8-trimethyl- has 0 hydrogen bond donor(s) and 2 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 Azulene, 1,3-diacetyl-4,6,8-trimethyl-?
The CAS number of Azulene, 1,3-diacetyl-4,6,8-trimethyl- is 841-71-4.
What is the molecular formula of Azulene, 1,3-diacetyl-4,6,8-trimethyl-?
The molecular formula of Azulene, 1,3-diacetyl-4,6,8-trimethyl- is C17H18O2.
What is the molecular weight of Azulene, 1,3-diacetyl-4,6,8-trimethyl-?
The molecular weight of Azulene, 1,3-diacetyl-4,6,8-trimethyl- is 254.13 g/mol.
Where can I buy Azulene, 1,3-diacetyl-4,6,8-trimethyl-?
You can request a quote for Azulene, 1,3-diacetyl-4,6,8-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azulene, 1,3-diacetyl-4,6,8-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Azulene, 1,3-diacetyl-4,6,8-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.