![1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]- structure](/static/products/1311/13117-00-5.webp)
1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-
TL;DR: 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]- (CAS 13117-00-5) 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.
1,5-bis-(4-methylphenyl)sulfonyl-2,6-dihydro-1,5-diazocine
Also Known As: 1,5-bis-(4-methylphenyl)sulfonyl-2,6-dihydro-1,5-diazocine, (3Z,7Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,6-dihydro-1,5-dia, 1,5-bis[(4-methylphenyl)sulfonyl]-1,2,5,6-tetrahydro-1,5-diazocine, 1,5-DIAZOCINE,1,2,5,6-TETRAHYDRO-1,5-BIS[(4-METHYLPHENYL)SULFONYL]-
| Molecular Formula | C20H22N2O4S2 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.1021 |
| Heavy Atoms | 28 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 13117-00-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC=CN(CC=C2)S(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | BELQCFGSYUDSBR-UHFFFAOYSA-N |
Product Overview
1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]- (CAS 13117-00-5), with molecular formula C20H22N2O4S2 and molecular weight 418.10 g/mol. IUPAC: 1,5-bis-(4-methylphenyl)sulfonyl-2,6-dihydro-1,5-diazocine.
Chemical Property Profile of 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-
Property Insights of 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-. Following Lipinski's Rule of Five, 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]- 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 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-?
The CAS number of 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]- is 13117-00-5.
What is the molecular formula of 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-?
The molecular formula of 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]- is C20H22N2O4S2.
What is the molecular weight of 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-?
The molecular weight of 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]- is 418.10 g/mol.
Where can I buy 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-?
You can request a quote for 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Diazocine,1,2,5,6-tetrahydro-1,5-bis[(4-methylphenyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.