![3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene structure](/static/products/2308/23088-83-7.webp)
3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
TL;DR: 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene (CAS 23088-83-7) is a chemical compound with molecular formula C11H14S2 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
Also Known As: 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene, 3-Carbamoyl-5-phenylisoxazolin, 3,7-Dithiabicyclo[7.3.1]trideca-1 ,9,11-triene
| Molecular Formula | C11H14S2 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.0537 |
| Heavy Atoms | 13 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 23088-83-7 |
|---|---|
| SMILES | C1CSCC2=CC(=CC=C2)CSC1 |
| InChIKey | UDVUVDFCVYPFNO-UHFFFAOYSA-N |
Product Overview
3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene (CAS 23088-83-7), with molecular formula C11H14S2 and molecular weight 210.05 g/mol. IUPAC: 3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene.
Chemical Property Profile of 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
Property Insights of 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene. With a topological polar surface area (TPSA) of 50.6 Ų, 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene has 0 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 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene?
The CAS number of 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene is 23088-83-7.
What is the molecular formula of 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene?
The molecular formula of 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene is C11H14S2.
What is the molecular weight of 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene?
The molecular weight of 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene is 210.05 g/mol.
Where can I buy 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene?
You can request a quote for 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.