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Benzo[4,5]phenaleno[9,1-bc]thiophene
TL;DR: Benzo[4,5]phenaleno[9,1-bc]thiophene (CAS 21726-22-7) 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.
14-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(18),2,4,6,8,10,12,15(19),16-nonaene
Also Known As: Benzo[4,5]phenaleno[9,1-bc]thiophene, benzo[4,5]phenaleno[1,9-bc]thiophene, Benzo(4,5)phenaleno(1,9-be)thiophene
| Molecular Formula | C18H10S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 5.8 |
| 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 | 21726-22-7 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CSC(=C54)C=C3 |
| InChIKey | QWQMZHGXBGJJBB-UHFFFAOYSA-N |
Product Overview
Benzo[4,5]phenaleno[9,1-bc]thiophene (CAS 21726-22-7), with molecular formula C18H10S and molecular weight 258.05 g/mol. IUPAC: 14-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(18),2,4,6,8,10,12,15(19),16-nonaene.
Chemical Property Profile of Benzo[4,5]phenaleno[9,1-bc]thiophene
Property Insights of Benzo[4,5]phenaleno[9,1-bc]thiophene
The XLogP value of 5.8 indicates that Benzo[4,5]phenaleno[9,1-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[4,5]phenaleno[9,1-bc]thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[4,5]phenaleno[9,1-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[4,5]phenaleno[9,1-bc]thiophene?
The CAS number of Benzo[4,5]phenaleno[9,1-bc]thiophene is 21726-22-7.
What is the molecular formula of Benzo[4,5]phenaleno[9,1-bc]thiophene?
The molecular formula of Benzo[4,5]phenaleno[9,1-bc]thiophene is C18H10S.
What is the molecular weight of Benzo[4,5]phenaleno[9,1-bc]thiophene?
The molecular weight of Benzo[4,5]phenaleno[9,1-bc]thiophene is 258.05 g/mol.
Where can I buy Benzo[4,5]phenaleno[9,1-bc]thiophene?
You can request a quote for Benzo[4,5]phenaleno[9,1-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[4,5]phenaleno[9,1-bc]thiophene?
Yes, KEHONG BIO provides custom synthesis services for Benzo[4,5]phenaleno[9,1-bc]thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.