3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine
TL;DR: 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine (CAS 69626-07-9) is a chemical compound with molecular formula C18H18N2S and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine
Also Known As: 3,8-diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine, (8Z)-3,8-diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine
| Molecular Formula | C18H18N2S |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.11908 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 69626-07-9 |
|---|---|
| SMILES | C1CN=C(CSC=C(N1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | SCHVVJVBKHTFOO-UHFFFAOYSA-N |
Product Overview
3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine (CAS 69626-07-9), with molecular formula C18H18N2S and molecular weight 294.12 g/mol. IUPAC: 3,8-diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine.
Chemical Property Profile of 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine
Property Insights of 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine
The XLogP value of 3.8 indicates that 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine has 1 hydrogen bond donor(s) and 3 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 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine?
The CAS number of 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine is 69626-07-9.
What is the molecular formula of 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine?
The molecular formula of 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine is C18H18N2S.
What is the molecular weight of 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine?
The molecular weight of 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine is 294.12 g/mol.
Where can I buy 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine?
You can request a quote for 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diphenyl-2,5,6,7-tetrahydro-1,4,7-thiadiazonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.