1-Benzothien-3-yl(oxo)acetaldehyde
TL;DR: 1-Benzothien-3-yl(oxo)acetaldehyde (CAS 35970-59-3) is a chemical compound with molecular formula C10H6O2S and molecular weight 190.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzothiophen-3-yl)-2-oxoacetaldehyde
Also Known As: 1-Benzothien-3-yl(oxo)acetaldehyde, (1-Benzothiophen-3-yl)(oxo)acetaldehyde, Benzo[b]thiophene-3-acetaldehyde, alpha-oxo-, I+/--Oxobenzo[b]thiophene-3-acetaldehyde, 2-(benzothiophen-3-yl)-2-oxo-acetaldehyde
| Molecular Formula | C10H6O2S |
|---|---|
| Molecular Weight | 190.01 g/mol |
| LogP | 2.2829 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.00885 |
| Heavy Atoms | 13 |
| Complexity | 470.4844 |
Chemical Identifiers
| CAS Number | 35970-59-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)C(=O)C=O |
Product Overview
1-Benzothien-3-yl(oxo)acetaldehyde (CAS 35970-59-3), with molecular formula C10H6O2S and molecular weight 190.01 g/mol. IUPAC: 2-(1-benzothiophen-3-yl)-2-oxoacetaldehyde.
Chemical Property Profile of 1-Benzothien-3-yl(oxo)acetaldehyde
Property Insights of 1-Benzothien-3-yl(oxo)acetaldehyde
The XLogP value of 2.2829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzothien-3-yl(oxo)acetaldehyde. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Benzothien-3-yl(oxo)acetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothien-3-yl(oxo)acetaldehyde 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 1-Benzothien-3-yl(oxo)acetaldehyde?
The CAS number of 1-Benzothien-3-yl(oxo)acetaldehyde is 35970-59-3.
What is the molecular formula of 1-Benzothien-3-yl(oxo)acetaldehyde?
The molecular formula of 1-Benzothien-3-yl(oxo)acetaldehyde is C10H6O2S.
What is the molecular weight of 1-Benzothien-3-yl(oxo)acetaldehyde?
The molecular weight of 1-Benzothien-3-yl(oxo)acetaldehyde is 190.01 g/mol.
Where can I buy 1-Benzothien-3-yl(oxo)acetaldehyde?
You can request a quote for 1-Benzothien-3-yl(oxo)acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothien-3-yl(oxo)acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothien-3-yl(oxo)acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.