5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine
TL;DR: 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine (CAS 126684-57-9) 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.
7-phenyl-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene
Also Known As: 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hexahydro-4-phenyl-, 4-phenyl-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine, 7-phenyl-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene, 5,6-Dihydro-6-phenyl-2,3-butano-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine
| Molecular Formula | C20H20N2S |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 4.6102 |
| Topological Polar Surface Area | 16.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.1347 |
| Heavy Atoms | 23 |
| Complexity | 843.91125 |
Chemical Identifiers
| CAS Number | 126684-57-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N4C=CC=C4C(NC3)C5=CC=CC=C5 |
Product Overview
5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine (CAS 126684-57-9), with molecular formula C20H20N2S and molecular weight 320.13 g/mol. IUPAC: 7-phenyl-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene.
Chemical Property Profile of 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine
Property Insights of 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine
The XLogP value of 4.6102 indicates that 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.96 Ų, 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine has 1 hydrogen bond donor(s) and 2 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 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine?
The CAS number of 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine is 126684-57-9.
What is the molecular formula of 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine?
The molecular formula of 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine is C20H20N2S.
What is the molecular weight of 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine?
The molecular weight of 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine is 320.13 g/mol.
Where can I buy 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine?
You can request a quote for 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8,9,10-Hexahydro-4-phenyl-4H-(1)benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.