4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro-
TL;DR: 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro- (CAS 64504-69-4) is a chemical compound with molecular formula C12H13NS2 and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-5,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene
Also Known As: 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro-, 4H-Dithieno[2,3-c:3',2'-e]azepine,5-ethyl-5,6-dihydro-, 5-ethyl-4,6-dihydrodithieno[3,2-b:3',2'-e]azepine, 4H-Dithieno(2,3-c:3,2-e)azepine, 5-ethyl-5,6-dihydro-, 4H-Dithieno(2,3-c:3,2-e)azepine,5-ethyl-5,6-dihydro-
| Molecular Formula | C12H13NS2 |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.04893 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 64504-69-4 |
|---|---|
| SMILES | CCN1CC2=C(C=CS2)C3=C(C1)SC=C3 |
| InChIKey | OROLWZMVTGFEGM-UHFFFAOYSA-N |
Product Overview
4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro- (CAS 64504-69-4), with molecular formula C12H13NS2 and molecular weight 235.05 g/mol. IUPAC: 8-ethyl-5,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene.
Chemical Property Profile of 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro-
Property Insights of 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro-. With a topological polar surface area (TPSA) of 59.7 Ų, 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro- 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(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro-?
The CAS number of 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro- is 64504-69-4.
What is the molecular formula of 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro-?
The molecular formula of 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro- is C12H13NS2.
What is the molecular weight of 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro-?
The molecular weight of 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro- is 235.05 g/mol.
Where can I buy 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro-?
You can request a quote for 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Dithieno(2,3-c:3',2'-e)azepine, 5-ethyl-5,6-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.