3-Bromo-2-nitro-benzo(b)thiophene
TL;DR: 3-Bromo-2-nitro-benzo(b)thiophene (CAS 17402-78-7) is a chemical compound with molecular formula C8H4BrNO2S and molecular weight 256.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-nitro-1-benzothiophene
Also Known As: 3-bromo-2-nitro-1-benzothiophene, 3-Bromo-2-nitro-benzo[b]thiophene, 3-bromo-2-nitrobenzo[b]thiophene, STRONTIUMACETATE, Benzo[b]thiophene, 3-bromo-2-nitro-
| Molecular Formula | C8H4BrNO2S |
|---|---|
| Molecular Weight | 256.91 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 74.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.9146 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 17402-78-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])Br |
| InChIKey | NEVPNAJUHZJMLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-2-nitro-benzo(b)thiophene (CAS 17402-78-7), with molecular formula C8H4BrNO2S and molecular weight 256.91 g/mol. IUPAC: 3-bromo-2-nitro-1-benzothiophene.
Chemical Property Profile of 3-Bromo-2-nitro-benzo(b)thiophene
Property Insights of 3-Bromo-2-nitro-benzo(b)thiophene
The XLogP value of 3.8 indicates that 3-Bromo-2-nitro-benzo(b)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-2-nitro-benzo(b)thiophene. Following Lipinski's Rule of Five, 3-Bromo-2-nitro-benzo(b)thiophene 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 3-Bromo-2-nitro-benzo(b)thiophene?
The CAS number of 3-Bromo-2-nitro-benzo(b)thiophene is 17402-78-7.
What is the molecular formula of 3-Bromo-2-nitro-benzo(b)thiophene?
The molecular formula of 3-Bromo-2-nitro-benzo(b)thiophene is C8H4BrNO2S.
What is the molecular weight of 3-Bromo-2-nitro-benzo(b)thiophene?
The molecular weight of 3-Bromo-2-nitro-benzo(b)thiophene is 256.91 g/mol.
Where can I buy 3-Bromo-2-nitro-benzo(b)thiophene?
You can request a quote for 3-Bromo-2-nitro-benzo(b)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-nitro-benzo(b)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-nitro-benzo(b)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.