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Benzo[2,1-b:3,4-b']bis[1]benzothiophene
TL;DR: Benzo[2,1-b:3,4-b']bis[1]benzothiophene (CAS 222-24-2) is a chemical compound with molecular formula C18H10S2 and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
Also Known As: Benzo[2,1-b:3,4-b']bisthianaphthene, Benzo[2,1-b:3,4-b']bis[1]benzothiophene, Benzo[2,1-b:3,4-b ]bis[1]benzothiophene, 3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene
| Molecular Formula | C18H10S2 |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.0224 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 222-24-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)C5=CC=CC=C5S4 |
| InChIKey | DARXWVZOZUMREY-UHFFFAOYSA-N |
Product Overview
Benzo[2,1-b:3,4-b']bis[1]benzothiophene (CAS 222-24-2), with molecular formula C18H10S2 and molecular weight 290.02 g/mol. IUPAC: 3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene.
Chemical Property Profile of Benzo[2,1-b:3,4-b']bis[1]benzothiophene
Property Insights of Benzo[2,1-b:3,4-b']bis[1]benzothiophene
The XLogP value of 6.7 indicates that Benzo[2,1-b:3,4-b']bis[1]benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, Benzo[2,1-b:3,4-b']bis[1]benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[2,1-b:3,4-b']bis[1]benzothiophene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[2,1-b:3,4-b']bis[1]benzothiophene?
The CAS number of Benzo[2,1-b:3,4-b']bis[1]benzothiophene is 222-24-2.
What is the molecular formula of Benzo[2,1-b:3,4-b']bis[1]benzothiophene?
The molecular formula of Benzo[2,1-b:3,4-b']bis[1]benzothiophene is C18H10S2.
What is the molecular weight of Benzo[2,1-b:3,4-b']bis[1]benzothiophene?
The molecular weight of Benzo[2,1-b:3,4-b']bis[1]benzothiophene is 290.02 g/mol.
Where can I buy Benzo[2,1-b:3,4-b']bis[1]benzothiophene?
You can request a quote for Benzo[2,1-b:3,4-b']bis[1]benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[2,1-b:3,4-b']bis[1]benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for Benzo[2,1-b:3,4-b']bis[1]benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.