ChemDiv1_024973
TL;DR: ChemDiv1_024973 (CAS 5774-98-1) is a chemical compound with molecular formula C39H32N4O8S2 and molecular weight 748.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[[[3-[2-[[2-(4-methylphenyl)sulfonyloxynaphthalen-1-yl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate
Also Known As: ChemDiv1_024973, [1-[[[3-[2-[[2-(4-methylphenyl)sulfonyloxynaphthalen-1-yl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate, A0453/0020898, {[(1,3-Dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]naphthalene-1,2-diyl} bis(4-methylbenzene-1-sulfonate), CID 5239085
| Molecular Formula | C39H32N4O8S2 |
|---|---|
| Molecular Weight | 748.17 g/mol |
| LogP | 6.13574 |
| Topological Polar Surface Area | 169.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 748.16614 |
| Heavy Atoms | 53 |
| Complexity | 2441.0967 |
Chemical Identifiers
| CAS Number | 5774-98-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=O)CC(=O)NN=CC4=C(C=CC5=CC=CC=C54)OS(=O)(=O)C6=CC=C(C=C6)C |
Product Overview
ChemDiv1_024973 (CAS 5774-98-1), with molecular formula C39H32N4O8S2 and molecular weight 748.17 g/mol. IUPAC: [1-[[[3-[2-[[2-(4-methylphenyl)sulfonyloxynaphthalen-1-yl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of ChemDiv1_024973
Property Insights of ChemDiv1_024973
The XLogP value of 6.13574 indicates that ChemDiv1_024973 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.66 Ų indicates high polarity, suggesting ChemDiv1_024973 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_024973 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_024973?
The CAS number of ChemDiv1_024973 is 5774-98-1.
What is the molecular formula of ChemDiv1_024973?
The molecular formula of ChemDiv1_024973 is C39H32N4O8S2.
What is the molecular weight of ChemDiv1_024973?
The molecular weight of ChemDiv1_024973 is 748.17 g/mol.
Where can I buy ChemDiv1_024973?
You can request a quote for ChemDiv1_024973 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024973?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024973 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.