3-Bromo-2-methyl-1-benzothiophene
TL;DR: 3-Bromo-2-methyl-1-benzothiophene (CAS 102434-14-0) is a chemical compound with molecular formula C9H7BrS and molecular weight 225.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-methyl-1-benzothiophene
Also Known As: 3-bromo-2-methylbenzo[b]thiophene, 3-Bromo-2-methyl-1-benzothiophene, 3-Bromo-2-methyl-benzo[b]thiophene, 3-bromo-2-methyl-benzothiophene, Benzo[b]thiophene, 3-bromo-2-methyl-
| Molecular Formula | C9H7BrS |
|---|---|
| Molecular Weight | 225.95 g/mol |
| LogP | 3.97222 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.94518 |
| Heavy Atoms | 11 |
| Complexity | 389.3621 |
Chemical Identifiers
| CAS Number | 102434-14-0 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2S1)Br |
Product Overview
3-Bromo-2-methyl-1-benzothiophene (CAS 102434-14-0), with molecular formula C9H7BrS and molecular weight 225.95 g/mol. IUPAC: 3-bromo-2-methyl-1-benzothiophene.
Chemical Property Profile of 3-Bromo-2-methyl-1-benzothiophene
Property Insights of 3-Bromo-2-methyl-1-benzothiophene
The XLogP value of 3.97222 indicates that 3-Bromo-2-methyl-1-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Bromo-2-methyl-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-methyl-1-benzothiophene has 0 hydrogen bond donor(s) and 1 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-methyl-1-benzothiophene?
The CAS number of 3-Bromo-2-methyl-1-benzothiophene is 102434-14-0.
What is the molecular formula of 3-Bromo-2-methyl-1-benzothiophene?
The molecular formula of 3-Bromo-2-methyl-1-benzothiophene is C9H7BrS.
What is the molecular weight of 3-Bromo-2-methyl-1-benzothiophene?
The molecular weight of 3-Bromo-2-methyl-1-benzothiophene is 225.95 g/mol.
Where can I buy 3-Bromo-2-methyl-1-benzothiophene?
You can request a quote for 3-Bromo-2-methyl-1-benzothiophene 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-methyl-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-methyl-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.