Unguinol, 2-chloro-
TL;DR: Unguinol, 2-chloro- (CAS 117032-57-2) is a chemical compound with molecular formula C19H17ClO5 and molecular weight 360.07645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Also Known As: 2-Chlorounguinol, Unguinol, 2-chloro-, J3.558.156A, 1-[(E)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one, 2-Chloro-3,8-dihydroxy-1,9-dimethyl-6-(1-methyl-1-propenyl)-11H-dibenzo[b,e][1,4]dioxepin-11-one
Technical Specifications
| Molecular Formula | C19H17ClO5 |
| Molecular Weight | 360.07645 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 360.07645 Da |
| Heavy Atoms | 25 |
| Complexity | 550.0 |
| SMILES | C/C=C(\C)/C1=CC(=C(C2=C1OC3=C(C(=C(C(=C3)O)Cl)C)C(=O)O2)C)O |
| InChIKey | KZPINWADEGOBQG-VMPITWQZSA-N |
Chemical Property Profile of Unguinol, 2-chloro-
Property Insights of Unguinol, 2-chloro-
The XLogP value of 5.2 indicates that Unguinol, 2-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Unguinol, 2-chloro-. Following Lipinski's Rule of Five, Unguinol, 2-chloro- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Unguinol, 2-chloro-?
The CAS number of Unguinol, 2-chloro- is 117032-57-2.
What is the molecular formula of Unguinol, 2-chloro-?
The molecular formula of Unguinol, 2-chloro- is C19H17ClO5.
What is the molecular weight of Unguinol, 2-chloro-?
The molecular weight of Unguinol, 2-chloro- is 360.07645 g/mol.
Where can I buy Unguinol, 2-chloro-?
You can request a quote for Unguinol, 2-chloro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Unguinol, 2-chloro-?
Yes, CoreyChem provides custom synthesis services for Unguinol, 2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.