![N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine structure](/static/products/1046/104672-80-2.webp)
N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine
TL;DR: N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine (CAS 104672-80-2) is a chemical compound with molecular formula C20H20N2S and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine
Also Known As: 1H-Imidazole,4-phenoxy, N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine, 2,3,5,6,7,8-Hexahydro-1-phenyl-5-(phenylimino)-1H-cyclopenta[e][1,4]thiazepine, Benzenamine,N-(1,2,3,6,7,8-hexahydro-1-phenyl-5H-cyclopenta[e][1,4]thiazepin-5-ylidene)-, N-[(5E)-1-PHENYL-1,2,3,6,7,8-HEXAHYDRO-5H-CYCLOPENTA[E][1,4]THIAZEPIN- 5-YLIDENE]ANILINE
| Molecular Formula | C20H20N2S |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.1347 |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 104672-80-2 |
|---|---|
| SMILES | C1CC2=C(C1)N(CCSC2=NC3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | RFQHQYSXCRCMRA-UHFFFAOYSA-N |
Product Overview
N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine (CAS 104672-80-2), with molecular formula C20H20N2S and molecular weight 320.13 g/mol. IUPAC: N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine.
Chemical Property Profile of N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine
Property Insights of N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine
The XLogP value of 4.9 indicates that N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine has 0 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 N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine?
The CAS number of N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine is 104672-80-2.
What is the molecular formula of N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine?
The molecular formula of N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine is C20H20N2S.
What is the molecular weight of N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine?
The molecular weight of N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine is 320.13 g/mol.
Where can I buy N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine?
You can request a quote for N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine?
Yes, KEHONG BIO provides custom synthesis services for N,1-diphenyl-3,6,7,8-tetrahydro-2H-cyclopenta[e][1,4]thiazepin-5-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.