CTK8J2701
TL;DR: CTK8J2701 (CAS 55556-72-4) is a chemical compound with molecular formula C19H16N4O8 and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2,4-dinitrophenyl)hydrazinylidene]-7-hydroxy-6-methoxy-1,3a,4,9a-tetrahydrobenzo[f][2]benzofuran-3-one
Also Known As: 1,3,3a,4,9,9a-Hexahydro-6-hydroxy-7-methoxy-4-[2-(2,4-dinitrophenyl)hydrazono]naphtho[2,3-c]furan-1-one
| Molecular Formula | C19H16N4O8 |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.0968 |
| Heavy Atoms | 31 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 55556-72-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CC3C(C2=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])COC3=O)O |
| InChIKey | YSYMAAJSXZVJQN-UHFFFAOYSA-N |
Product Overview
CTK8J2701 (CAS 55556-72-4), with molecular formula C19H16N4O8 and molecular weight 428.10 g/mol. IUPAC: 9-[(2,4-dinitrophenyl)hydrazinylidene]-7-hydroxy-6-methoxy-1,3a,4,9a-tetrahydrobenzo[f][2]benzofuran-3-one.
Chemical Property Profile of CTK8J2701
Property Insights of CTK8J2701
The XLogP value of 3.3 indicates that CTK8J2701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting CTK8J2701 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK8J2701 has 2 hydrogen bond donor(s) and 10 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 CTK8J2701?
The CAS number of CTK8J2701 is 55556-72-4.
What is the molecular formula of CTK8J2701?
The molecular formula of CTK8J2701 is C19H16N4O8.
What is the molecular weight of CTK8J2701?
The molecular weight of CTK8J2701 is 428.10 g/mol.
Where can I buy CTK8J2701?
You can request a quote for CTK8J2701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8J2701?
Yes, KEHONG BIO provides custom synthesis services for CTK8J2701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.