4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one
TL;DR: 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one (CAS 33739-52-5) is a chemical compound with molecular formula C17H24N2O5 and molecular weight 336.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydroxy-3,6-bis(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one
Also Known As: 3,7-Bis(morpholinomethyl)-2,5-dihydroxy-2,4,6-cycloheptatrien-1-one, 3,7-Bis -2,5-dihydroxy-2,4,6-cycloheptatrien-1-one, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 3,7-BIS(MORPHOLINOMETHYL)-2,5-DIHYDROXY-, 4,5-dihydroxy-3,6-bis(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one, (2E)-2-[(METHYL-PHENYL-AMINO)METHYLIDENE]CYCLOHEXAN-1-ONE
| Molecular Formula | C17H24N2O5 |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.16852 |
| Heavy Atoms | 24 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 33739-52-5 |
|---|---|
| SMILES | C1COCCN1CC2=CC(=O)C=C(C(=C2O)O)CN3CCOCC3 |
| InChIKey | IJRTWWQQVZZCKJ-UHFFFAOYSA-N |
Product Overview
4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one (CAS 33739-52-5), with molecular formula C17H24N2O5 and molecular weight 336.17 g/mol. IUPAC: 4,5-dihydroxy-3,6-bis(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one
Property Insights of 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one
The XLogP value of -1.7 indicates that 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one. Following Lipinski's Rule of Five, 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one has 2 hydrogen bond donor(s) and 7 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 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one?
The CAS number of 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one is 33739-52-5.
What is the molecular formula of 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one?
The molecular formula of 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one is C17H24N2O5.
What is the molecular weight of 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one?
The molecular weight of 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one is 336.17 g/mol.
Where can I buy 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one?
You can request a quote for 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydroxy-3,6-bis((morpholin-4-yl)methyl)cyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.