4H-Cyclopenta(2,1-b:3,4-b')dithiophene
TL;DR: 4H-Cyclopenta(2,1-b:3,4-b')dithiophene (CAS 389-58-2) is a chemical compound with molecular formula C9H6S2 and molecular weight 177.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
Also Known As: 4H-Cyclopenta[2,1-b:3,4-b']dithiophene, 4H-Cyclopenta[1,2-b:5,4-b']dithiophene, 3,4-Dithia-7H-cyclopenta[a]pentalene, CPTD, p-Cyclopentadithiophene
| Molecular Formula | C9H6S2 |
|---|---|
| Molecular Weight | 177.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.99109 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 389-58-2 |
|---|---|
| SMILES | C1C2=C(C3=C1C=CS3)SC=C2 |
| InChIKey | UITASDKJJNYORO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-Cyclopenta(2,1-b:3,4-b')dithiophene (CAS 389-58-2), with molecular formula C9H6S2 and molecular weight 177.99 g/mol. IUPAC: 3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
Chemical Property Profile of 4H-Cyclopenta(2,1-b:3,4-b')dithiophene
Property Insights of 4H-Cyclopenta(2,1-b:3,4-b')dithiophene
The XLogP value of 3.0 indicates that 4H-Cyclopenta(2,1-b:3,4-b')dithiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 4H-Cyclopenta(2,1-b:3,4-b')dithiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Cyclopenta(2,1-b:3,4-b')dithiophene 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 4H-Cyclopenta(2,1-b:3,4-b')dithiophene?
The CAS number of 4H-Cyclopenta(2,1-b:3,4-b')dithiophene is 389-58-2.
What is the molecular formula of 4H-Cyclopenta(2,1-b:3,4-b')dithiophene?
The molecular formula of 4H-Cyclopenta(2,1-b:3,4-b')dithiophene is C9H6S2.
What is the molecular weight of 4H-Cyclopenta(2,1-b:3,4-b')dithiophene?
The molecular weight of 4H-Cyclopenta(2,1-b:3,4-b')dithiophene is 177.99 g/mol.
Where can I buy 4H-Cyclopenta(2,1-b:3,4-b')dithiophene?
You can request a quote for 4H-Cyclopenta(2,1-b:3,4-b')dithiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Cyclopenta(2,1-b:3,4-b')dithiophene?
Yes, KEHONG BIO provides custom synthesis services for 4H-Cyclopenta(2,1-b:3,4-b')dithiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.