5-Chloro-1-benzothiophene-3-carbaldehyde
TL;DR: 5-Chloro-1-benzothiophene-3-carbaldehyde (CAS 16296-68-7) is a chemical compound with molecular formula C9H5ClOS and molecular weight 195.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-benzothiophene-3-carbaldehyde
Also Known As: 5-chloro-1-benzothiophene-3-carbaldehyde, 5-chlorobenzo[b]thiophene-3-carbaldehyde, 5-Chlorobenzo[b]thiophene-3-carboxaldehyde, Benzo[b]thiophene-3-carboxaldehyde, 5-chloro-, 5-Chloro-3-formylbenzo[b]thiophene
| Molecular Formula | C9H5ClOS |
|---|---|
| Molecular Weight | 195.97 g/mol |
| LogP | 3.3672 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.97496 |
| Heavy Atoms | 12 |
| Complexity | 433.0212 |
Chemical Identifiers
| CAS Number | 16296-68-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=CS2)C=O |
Product Overview
5-Chloro-1-benzothiophene-3-carbaldehyde (CAS 16296-68-7), with molecular formula C9H5ClOS and molecular weight 195.97 g/mol. IUPAC: 5-chloro-1-benzothiophene-3-carbaldehyde.
Chemical Property Profile of 5-Chloro-1-benzothiophene-3-carbaldehyde
Property Insights of 5-Chloro-1-benzothiophene-3-carbaldehyde
The XLogP value of 3.3672 indicates that 5-Chloro-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, 5-Chloro-1-benzothiophene-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-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 5-Chloro-1-benzothiophene-3-carbaldehyde?
The CAS number of 5-Chloro-1-benzothiophene-3-carbaldehyde is 16296-68-7.
What is the molecular formula of 5-Chloro-1-benzothiophene-3-carbaldehyde?
The molecular formula of 5-Chloro-1-benzothiophene-3-carbaldehyde is C9H5ClOS.
What is the molecular weight of 5-Chloro-1-benzothiophene-3-carbaldehyde?
The molecular weight of 5-Chloro-1-benzothiophene-3-carbaldehyde is 195.97 g/mol.
Where can I buy 5-Chloro-1-benzothiophene-3-carbaldehyde?
You can request a quote for 5-Chloro-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 5-Chloro-1-benzothiophene-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-benzothiophene-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.