2-Methyl-1-benzothiophene-3-carbaldehyde
TL;DR: 2-Methyl-1-benzothiophene-3-carbaldehyde (CAS 30446-99-2) is a chemical compound with molecular formula C10H8OS and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-benzothiophene-3-carbaldehyde
Also Known As: 2-methyl-1-benzothiophene-3-carbaldehyde, 2-methylbenzo[b]thiophene-3-carbaldehyde, Benzo[b]thiophene-3-carboxaldehyde, 2-methyl-, CHEMBRDG-BB4012562, CHEMBRDG-BB 4012562
| Molecular Formula | C10H8OS |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | 3.02222 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.02959 |
| Heavy Atoms | 12 |
| Complexity | 428.33124 |
Chemical Identifiers
| CAS Number | 30446-99-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2S1)C=O |
Product Overview
2-Methyl-1-benzothiophene-3-carbaldehyde (CAS 30446-99-2), with molecular formula C10H8OS and molecular weight 176.03 g/mol. IUPAC: 2-methyl-1-benzothiophene-3-carbaldehyde.
Chemical Property Profile of 2-Methyl-1-benzothiophene-3-carbaldehyde
Property Insights of 2-Methyl-1-benzothiophene-3-carbaldehyde
The XLogP value of 3.02222 indicates that 2-Methyl-1-benzothiophene-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Methyl-1-benzothiophene-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-benzothiophene-3-carbaldehyde has 0 hydrogen bond donor(s) and 2 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-Methyl-1-benzothiophene-3-carbaldehyde?
The CAS number of 2-Methyl-1-benzothiophene-3-carbaldehyde is 30446-99-2.
What is the molecular formula of 2-Methyl-1-benzothiophene-3-carbaldehyde?
The molecular formula of 2-Methyl-1-benzothiophene-3-carbaldehyde is C10H8OS.
What is the molecular weight of 2-Methyl-1-benzothiophene-3-carbaldehyde?
The molecular weight of 2-Methyl-1-benzothiophene-3-carbaldehyde is 176.03 g/mol.
Where can I buy 2-Methyl-1-benzothiophene-3-carbaldehyde?
You can request a quote for 2-Methyl-1-benzothiophene-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-benzothiophene-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-benzothiophene-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.