1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl-
TL;DR: 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl- (CAS 89909-08-0) is a chemical compound with molecular formula C10H18N4S2 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-ditert-butyl-1λ4,5-dithia-2,4,6,8-tetrazacycloocta-1,3,6,8-tetraene
Also Known As: 3,7-ditert-butyl-1, 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl-
| Molecular Formula | C10H18N4S2 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0973 |
| Heavy Atoms | 16 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 89909-08-0 |
|---|---|
| SMILES | CC(C)(C)C1=NSN=C(N=S=N1)C(C)(C)C |
| InChIKey | LLRJMGMLPDYNEM-UHFFFAOYSA-N |
Product Overview
1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl- (CAS 89909-08-0), with molecular formula C10H18N4S2 and molecular weight 258.10 g/mol. IUPAC: 3,7-ditert-butyl-1λ4,5-dithia-2,4,6,8-tetrazacycloocta-1,3,6,8-tetraene.
Chemical Property Profile of 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl-
Property Insights of 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl-
The XLogP value of 4.7 indicates that 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl-. Following Lipinski's Rule of Five, 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl- 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 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl-?
The CAS number of 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl- is 89909-08-0.
What is the molecular formula of 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl-?
The molecular formula of 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl- is C10H18N4S2.
What is the molecular weight of 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl-?
The molecular weight of 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl- is 258.10 g/mol.
Where can I buy 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl-?
You can request a quote for 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dithia-2,4,6,8-tetrazocine, 3,7-di-tert-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.