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1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane
TL;DR: 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane (CAS 433974-75-5) is a chemical compound with molecular formula C23H32N2O4S2 and molecular weight 464.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane
Also Known As: 1,4-bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane, AS-871/40917621, 1,4-bis(2,4,5-trimethylbenzenesulfonyl)-1,4-diazepane, 1,4-bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazaperhydroepine
| Molecular Formula | C23H32N2O4S2 |
|---|---|
| Molecular Weight | 464.18 g/mol |
| LogP | 3.62242 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.18036 |
| Heavy Atoms | 31 |
| Complexity | 1123.1229 |
Chemical Identifiers
| CAS Number | 433974-75-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)C)C)C |
Product Overview
1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane (CAS 433974-75-5), with molecular formula C23H32N2O4S2 and molecular weight 464.18 g/mol. IUPAC: 1,4-bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane.
Chemical Property Profile of 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane
Property Insights of 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane
The XLogP value of 3.62242 indicates that 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane. Following Lipinski's Rule of Five, 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane 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 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane?
The CAS number of 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane is 433974-75-5.
What is the molecular formula of 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane?
The molecular formula of 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane is C23H32N2O4S2.
What is the molecular weight of 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane?
The molecular weight of 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane is 464.18 g/mol.
Where can I buy 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane?
You can request a quote for 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis[(2,4,5-trimethylphenyl)sulfonyl]-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.