2-Bromo-3-nitro-1-benzothiophene
TL;DR: 2-Bromo-3-nitro-1-benzothiophene (CAS 100949-37-9) 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.
2-bromo-3-nitro-1-benzothiophene
Also Known As: 2-bromo-3-nitro-1-benzothiophene, 2-bromo-3-nitrobenzo[b]thiophene, 2-bromo-3-nitro-benzothiophene, Benzo[b]thiophene, 2-bromo-3-nitro-, 2-Bromo-3-nitro-benzo[b]thiophene
| Molecular Formula | C8H4BrNO2S |
|---|---|
| Molecular Weight | 256.91 g/mol |
| LogP | 3.572 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.9146 |
| Heavy Atoms | 13 |
| Complexity | 479.9488 |
Chemical Identifiers
| CAS Number | 100949-37-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)Br)[N+](=O)[O-] |
Product Overview
2-Bromo-3-nitro-1-benzothiophene (CAS 100949-37-9), with molecular formula C8H4BrNO2S and molecular weight 256.91 g/mol. IUPAC: 2-bromo-3-nitro-1-benzothiophene.
Chemical Property Profile of 2-Bromo-3-nitro-1-benzothiophene
Property Insights of 2-Bromo-3-nitro-1-benzothiophene
The XLogP value of 3.572 indicates that 2-Bromo-3-nitro-1-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Bromo-3-nitro-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-nitro-1-benzothiophene 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 2-Bromo-3-nitro-1-benzothiophene?
The CAS number of 2-Bromo-3-nitro-1-benzothiophene is 100949-37-9.
What is the molecular formula of 2-Bromo-3-nitro-1-benzothiophene?
The molecular formula of 2-Bromo-3-nitro-1-benzothiophene is C8H4BrNO2S.
What is the molecular weight of 2-Bromo-3-nitro-1-benzothiophene?
The molecular weight of 2-Bromo-3-nitro-1-benzothiophene is 256.91 g/mol.
Where can I buy 2-Bromo-3-nitro-1-benzothiophene?
You can request a quote for 2-Bromo-3-nitro-1-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-nitro-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-nitro-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.