8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene
TL;DR: 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene (CAS 107089-68-9) is a chemical compound with molecular formula C10H12N2O2S2 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8Z)-1,4-dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
Also Known As: 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene, J1.055.662G, J1.561.354H, J1.561.355F, (8Z)-1,4-dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
| Molecular Formula | C10H12N2O2S2 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 1.75836 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.03403 |
| Heavy Atoms | 16 |
| Complexity | 298.6912 |
Chemical Identifiers
| CAS Number | 107089-68-9 |
|---|---|
| SMILES | C1COCCS/C(=C(\SCCO1)/C#N)/C#N |
Product Overview
8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene (CAS 107089-68-9), with molecular formula C10H12N2O2S2 and molecular weight 256.03 g/mol. IUPAC: (8Z)-1,4-dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile.
Chemical Property Profile of 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene
Property Insights of 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene
The XLogP value of 1.75836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene. Following Lipinski's Rule of Five, 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene has 0 hydrogen bond donor(s) and 6 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 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene?
The CAS number of 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene is 107089-68-9.
What is the molecular formula of 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene?
The molecular formula of 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene is C10H12N2O2S2.
What is the molecular weight of 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene?
The molecular weight of 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene is 256.03 g/mol.
Where can I buy 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene?
You can request a quote for 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene?
Yes, KEHONG BIO provides custom synthesis services for 8,9-Dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.