ChemDiv3_003321
TL;DR: ChemDiv3_003321 (CAS 50931-32-3) is a chemical compound with molecular formula C20H18N2O4S2 and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[4-(4-methylphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
Also Known As: ChemDiv3_003321, N,N -Ditosyl-p-benzoquinone diimine, IDI1_021231, N,N'-ditosyl-1,4-benzoquinone diimine, N,N -Ditosyl-1,4-benzoquinone diimine
| Molecular Formula | C20H18N2O4S2 |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.0708 |
| Heavy Atoms | 28 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 50931-32-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=NS(=O)(=O)C3=CC=C(C=C3)C)C=C2 |
| InChIKey | FVMRYLRNZXRNSP-UHFFFAOYSA-N |
Product Overview
ChemDiv3_003321 (CAS 50931-32-3), with molecular formula C20H18N2O4S2 and molecular weight 414.07 g/mol. IUPAC: 4-methyl-N-[4-(4-methylphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]benzenesulfonamide.
Chemical Property Profile of ChemDiv3_003321
Property Insights of ChemDiv3_003321
The XLogP value of 3.6 indicates that ChemDiv3_003321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003321. Following Lipinski's Rule of Five, ChemDiv3_003321 has 0 hydrogen bond donor(s) and 6 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 ChemDiv3_003321?
The CAS number of ChemDiv3_003321 is 50931-32-3.
What is the molecular formula of ChemDiv3_003321?
The molecular formula of ChemDiv3_003321 is C20H18N2O4S2.
What is the molecular weight of ChemDiv3_003321?
The molecular weight of ChemDiv3_003321 is 414.07 g/mol.
Where can I buy ChemDiv3_003321?
You can request a quote for ChemDiv3_003321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003321?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.