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Benzo[b]thiophene, 7-nitro-
TL;DR: Benzo[b]thiophene, 7-nitro- (CAS 17511-54-5) is a chemical compound with molecular formula C8H5NO2S and molecular weight 179.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-1-benzothiophene
Also Known As: 7-nitrobenzo[b]thiophene, 7-nitro-1-benzothiophene, 7-nitrobenzothiophene, Benzo[b]thiophene, 7-nitro-, AA-516/12432409
| Molecular Formula | C8H5NO2S |
|---|---|
| Molecular Weight | 179.00 g/mol |
| LogP | 2.8095 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0041 |
| Heavy Atoms | 12 |
| Complexity | 435.30542 |
Chemical Identifiers
| CAS Number | 17511-54-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])SC=C2 |
Product Overview
Benzo[b]thiophene, 7-nitro- (CAS 17511-54-5), with molecular formula C8H5NO2S and molecular weight 179.00 g/mol. IUPAC: 7-nitro-1-benzothiophene.
Chemical Property Profile of Benzo[b]thiophene, 7-nitro-
Property Insights of Benzo[b]thiophene, 7-nitro-
The XLogP value of 2.8095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[b]thiophene, 7-nitro-. With a topological polar surface area (TPSA) of 43.14 Ų, Benzo[b]thiophene, 7-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene, 7-nitro- has 0 hydrogen bond donor(s) and 3 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 Benzo[b]thiophene, 7-nitro-?
The CAS number of Benzo[b]thiophene, 7-nitro- is 17511-54-5.
What is the molecular formula of Benzo[b]thiophene, 7-nitro-?
The molecular formula of Benzo[b]thiophene, 7-nitro- is C8H5NO2S.
What is the molecular weight of Benzo[b]thiophene, 7-nitro-?
The molecular weight of Benzo[b]thiophene, 7-nitro- is 179.00 g/mol.
Where can I buy Benzo[b]thiophene, 7-nitro-?
You can request a quote for Benzo[b]thiophene, 7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene, 7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene, 7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.