Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-
TL;DR: Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro- (CAS 63286-53-3) is a chemical compound with molecular formula C10H8OS2 and molecular weight 208.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-oxa-5,11-dithiatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene
Also Known As: 4,6-dihydrodithieno[2,3-c:3,2-e]oxepine, Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-, Dithieno[2,3-c:3',2'-e]oxepin,4,6-dihydro-, 4,6-Dihydrobisthieno[2,3-c:3',2'-e]oxepine, AI-942/13331705
| Molecular Formula | C10H8OS2 |
|---|---|
| Molecular Weight | 208.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.00166 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 63286-53-3 |
|---|---|
| SMILES | C1C2=C(C=CS2)C3=C(CO1)SC=C3 |
| InChIKey | DYUYFDFWRMROBQ-UHFFFAOYSA-N |
Product Overview
Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro- (CAS 63286-53-3), with molecular formula C10H8OS2 and molecular weight 208.00 g/mol. IUPAC: 8-oxa-5,11-dithiatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene.
Chemical Property Profile of Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-
Property Insights of Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-. Following Lipinski's Rule of Five, Dithieno(2,3-c:3',2'-e)oxepin, 4,6-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 Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-?
The CAS number of Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro- is 63286-53-3.
What is the molecular formula of Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-?
The molecular formula of Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro- is C10H8OS2.
What is the molecular weight of Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-?
The molecular weight of Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro- is 208.00 g/mol.
Where can I buy Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-?
You can request a quote for Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for Dithieno(2,3-c:3',2'-e)oxepin, 4,6-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.