4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl-
TL;DR: 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl- (CAS 64504-70-7) is a chemical compound with molecular formula C16H13NS2 and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-phenyl-4,12-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(13),2,5,10-tetraene
Also Known As: 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl-, 4H-Dithieno[3,4-c:3',4'-e]azepine,5,6-dihydro-5-phenyl-, 5-phenyl-5,6-dihydro-4H-bisthieno[3,4-c:3',4'-e]azepine
| Molecular Formula | C16H13NS2 |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.04895 |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 64504-70-7 |
|---|---|
| SMILES | C1C2=CSC=C2C3=CSC=C3CN1C4=CC=CC=C4 |
| InChIKey | RCXURCPNPGOWFS-UHFFFAOYSA-N |
Product Overview
4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl- (CAS 64504-70-7), with molecular formula C16H13NS2 and molecular weight 283.05 g/mol. IUPAC: 8-phenyl-4,12-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(13),2,5,10-tetraene.
Chemical Property Profile of 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl-
Property Insights of 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl-
The XLogP value of 4.1 indicates that 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl- 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 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl-?
The CAS number of 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl- is 64504-70-7.
What is the molecular formula of 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl-?
The molecular formula of 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl- is C16H13NS2.
What is the molecular weight of 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl-?
The molecular weight of 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl- is 283.05 g/mol.
Where can I buy 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl-?
You can request a quote for 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Dithieno(3,4-c:3',4'-e)azepine, 5,6-dihydro-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.