ChemDiv3_001345
TL;DR: ChemDiv3_001345 (CAS 86604-33-3) is a chemical compound with molecular formula C22H29NO4S and molecular weight 403.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-ethoxybenzenesulfonamide
Also Known As: ChemDiv3_001345, IDI1_020311, F0355-0027, N-(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-ethoxybenzene-1-sulfonamide, N-(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-ethoxybenzenesulfonamide
| Molecular Formula | C22H29NO4S |
|---|---|
| Molecular Weight | 403.18 g/mol |
| LogP | 4.7427 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.18173 |
| Heavy Atoms | 28 |
| Complexity | 932.52454 |
Chemical Identifiers
| CAS Number | 86604-33-3 |
|---|---|
| SMILES | CCOC1=CC(=CC=C1)S(=O)(=O)N=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C |
Product Overview
ChemDiv3_001345 (CAS 86604-33-3), with molecular formula C22H29NO4S and molecular weight 403.18 g/mol. IUPAC: N-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-ethoxybenzenesulfonamide.
Chemical Property Profile of ChemDiv3_001345
Property Insights of ChemDiv3_001345
The XLogP value of 4.7427 indicates that ChemDiv3_001345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001345. Following Lipinski's Rule of Five, ChemDiv3_001345 has 0 hydrogen bond donor(s) and 4 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_001345?
The CAS number of ChemDiv3_001345 is 86604-33-3.
What is the molecular formula of ChemDiv3_001345?
The molecular formula of ChemDiv3_001345 is C22H29NO4S.
What is the molecular weight of ChemDiv3_001345?
The molecular weight of ChemDiv3_001345 is 403.18 g/mol.
Where can I buy ChemDiv3_001345?
You can request a quote for ChemDiv3_001345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001345?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.