(3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine
TL;DR: (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine (CAS 13117-01-6) is a chemical compound with molecular formula C20H22N2O4S2 and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine
Also Known As: (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine, (3Z,6Z)-1,5-Bis(4-methylbenzene-1-sulfonyl)-1,2,5,8-tetrahydro-1,5-diazocine
| Molecular Formula | C20H22N2O4S2 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 3.02604 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.1021 |
| Heavy Atoms | 28 |
| Complexity | 1085.8005 |
Chemical Identifiers
| CAS Number | 13117-01-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C/C=C\N(/C=C\C2)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
(3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine (CAS 13117-01-6), with molecular formula C20H22N2O4S2 and molecular weight 418.10 g/mol. IUPAC: (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine.
Chemical Property Profile of (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine
Property Insights of (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine
The XLogP value of 3.02604 indicates that (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine 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 (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine. Following Lipinski's Rule of Five, (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine 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 (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine?
The CAS number of (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine is 13117-01-6.
What is the molecular formula of (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine?
The molecular formula of (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine is C20H22N2O4S2.
What is the molecular weight of (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine?
The molecular weight of (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine is 418.10 g/mol.
Where can I buy (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine?
You can request a quote for (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine?
Yes, KEHONG BIO provides custom synthesis services for (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.