6-Chloro-2-methylthiochromen-4-one
TL;DR: 6-Chloro-2-methylthiochromen-4-one (CAS 774-35-6) is a chemical compound with molecular formula C10H7ClOS and molecular weight 209.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-methylthiochromen-4-one
Also Known As: 6-chloro-2-methylthiochromen-4-one, 6-chloro-2-methyl-4H-thiochromen-4-one, 4h-1-benzothiopyran-4-one,6-chloro-2-methyl-, 2-Methyl-6-chloro-4H-1-benzothiopyran-4-one, BRD-K44407987-001-01-5
| Molecular Formula | C10H7ClOS |
|---|---|
| Molecular Weight | 209.99 g/mol |
| LogP | 3.22332 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.99062 |
| Heavy Atoms | 13 |
| Complexity | 515.80396 |
Chemical Identifiers
| CAS Number | 774-35-6 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(S1)C=CC(=C2)Cl |
Product Overview
6-Chloro-2-methylthiochromen-4-one (CAS 774-35-6), with molecular formula C10H7ClOS and molecular weight 209.99 g/mol. IUPAC: 6-chloro-2-methylthiochromen-4-one.
Chemical Property Profile of 6-Chloro-2-methylthiochromen-4-one
Property Insights of 6-Chloro-2-methylthiochromen-4-one
The XLogP value of 3.22332 indicates that 6-Chloro-2-methylthiochromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 6-Chloro-2-methylthiochromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-methylthiochromen-4-one 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 6-Chloro-2-methylthiochromen-4-one?
The CAS number of 6-Chloro-2-methylthiochromen-4-one is 774-35-6.
What is the molecular formula of 6-Chloro-2-methylthiochromen-4-one?
The molecular formula of 6-Chloro-2-methylthiochromen-4-one is C10H7ClOS.
What is the molecular weight of 6-Chloro-2-methylthiochromen-4-one?
The molecular weight of 6-Chloro-2-methylthiochromen-4-one is 209.99 g/mol.
Where can I buy 6-Chloro-2-methylthiochromen-4-one?
You can request a quote for 6-Chloro-2-methylthiochromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-methylthiochromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-methylthiochromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.