Pyreno(2,1-b)thiophene
TL;DR: Pyreno(2,1-b)thiophene (CAS 21709-39-7) is a chemical compound with molecular formula C18H10S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-thiapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),3,7,9,11(19),12,14,16-nonaene
Also Known As: Pyreno(2,1-b)thiophene, pyrenothiophene, Pyreno[2,1-b]thiophene, 3,4:8,9-Dibenzpyrene, J1.075.621I
| Molecular Formula | C18H10S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.05032 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 21709-39-7 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CS5)C=C2 |
| InChIKey | KBGGQFXYUZPGSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyreno(2,1-b)thiophene (CAS 21709-39-7), with molecular formula C18H10S and molecular weight 258.05 g/mol. IUPAC: 5-thiapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),3,7,9,11(19),12,14,16-nonaene.
Chemical Property Profile of Pyreno(2,1-b)thiophene
Property Insights of Pyreno(2,1-b)thiophene
The XLogP value of 6.0 indicates that Pyreno(2,1-b)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Pyreno(2,1-b)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyreno(2,1-b)thiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyreno(2,1-b)thiophene?
The CAS number of Pyreno(2,1-b)thiophene is 21709-39-7.
What is the molecular formula of Pyreno(2,1-b)thiophene?
The molecular formula of Pyreno(2,1-b)thiophene is C18H10S.
What is the molecular weight of Pyreno(2,1-b)thiophene?
The molecular weight of Pyreno(2,1-b)thiophene is 258.05 g/mol.
Where can I buy Pyreno(2,1-b)thiophene?
You can request a quote for Pyreno(2,1-b)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyreno(2,1-b)thiophene?
Yes, KEHONG BIO provides custom synthesis services for Pyreno(2,1-b)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.