Benzo(5,6)phenaleno(1,9-bc)thiophene
TL;DR: Benzo(5,6)phenaleno(1,9-bc)thiophene (CAS 84548-74-3) 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.
13-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(18),2,4,6,8,10,12(19),14,16-nonaene
Also Known As: Benzo(5,6)phenaleno(1,9-bc)thiophene, Benzo[4,5]phenaleno[1,9]bc]thiophene, Benzo[5,6]phenaleno[1,9-bc]thiophene, 2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
| 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 | 84548-74-3 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CS5)C=C3 |
| InChIKey | NWJOUMRGNOOYFF-UHFFFAOYSA-N |
Product Overview
Benzo(5,6)phenaleno(1,9-bc)thiophene (CAS 84548-74-3), with molecular formula C18H10S and molecular weight 258.05 g/mol. IUPAC: 13-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(18),2,4,6,8,10,12(19),14,16-nonaene.
Chemical Property Profile of Benzo(5,6)phenaleno(1,9-bc)thiophene
Property Insights of Benzo(5,6)phenaleno(1,9-bc)thiophene
The XLogP value of 6.0 indicates that Benzo(5,6)phenaleno(1,9-bc)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, Benzo(5,6)phenaleno(1,9-bc)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(5,6)phenaleno(1,9-bc)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 Benzo(5,6)phenaleno(1,9-bc)thiophene?
The CAS number of Benzo(5,6)phenaleno(1,9-bc)thiophene is 84548-74-3.
What is the molecular formula of Benzo(5,6)phenaleno(1,9-bc)thiophene?
The molecular formula of Benzo(5,6)phenaleno(1,9-bc)thiophene is C18H10S.
What is the molecular weight of Benzo(5,6)phenaleno(1,9-bc)thiophene?
The molecular weight of Benzo(5,6)phenaleno(1,9-bc)thiophene is 258.05 g/mol.
Where can I buy Benzo(5,6)phenaleno(1,9-bc)thiophene?
You can request a quote for Benzo(5,6)phenaleno(1,9-bc)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(5,6)phenaleno(1,9-bc)thiophene?
Yes, KEHONG BIO provides custom synthesis services for Benzo(5,6)phenaleno(1,9-bc)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.