4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde
TL;DR: 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde (CAS 259654-88-1) is a chemical compound with molecular formula C10H6ClFOS and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde
Also Known As: 4-chloro-6-fluoro-2H-1-benzothiine-3-carboxaldehyde, 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde, 4-CHLORO-6-FLUORO-2H-1-BENZOTHIINE-3-CARBALDEHYDE, 4-chloro-6-fluoro-2H-benzo[b]thiin-3-carbaldehyde
| Molecular Formula | C10H6ClFOS |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 3.0802 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.98119 |
| Heavy Atoms | 14 |
| Complexity | 428.13022 |
Chemical Identifiers
| CAS Number | 259654-88-1 |
|---|---|
| SMILES | C1C(=C(C2=C(S1)C=CC(=C2)F)Cl)C=O |
Product Overview
4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde (CAS 259654-88-1), with molecular formula C10H6ClFOS and molecular weight 227.98 g/mol. IUPAC: 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde.
Chemical Property Profile of 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde
Property Insights of 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde
The XLogP value of 3.0802 indicates that 4-chloro-6-fluoro-2H-thiochromene-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, 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-6-fluoro-2H-thiochromene-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 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde?
The CAS number of 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde is 259654-88-1.
What is the molecular formula of 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde?
The molecular formula of 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde is C10H6ClFOS.
What is the molecular weight of 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde?
The molecular weight of 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde is 227.98 g/mol.
Where can I buy 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde?
You can request a quote for 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-6-fluoro-2H-thiochromene-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.