8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid
TL;DR: 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid (CAS 59429-75-3) is a chemical compound with molecular formula C12H11ClO4S and molecular weight 286.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-chloro-5-methoxy-4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid
Also Known As: 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid, 2-(8-chloro-5-methoxy-4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid, 2H-1-Benzothiopyran-2-acetic acid, 8-chloro-3,4-dihydro-5-methoxy-4-oxo-, 2H-1-Benzothiopyran-2-aceticacid, 8-chloro-3,4-dihydro-5-methoxy-4-oxo-, 8-chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-aceticacid
| Molecular Formula | C12H11ClO4S |
|---|---|
| Molecular Weight | 286.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.00665 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 59429-75-3 |
|---|---|
| SMILES | COC1=C2C(=O)CC(SC2=C(C=C1)Cl)CC(=O)O |
| InChIKey | YDUNODYKUBLLTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid (CAS 59429-75-3), with molecular formula C12H11ClO4S and molecular weight 286.01 g/mol. IUPAC: 2-(8-chloro-5-methoxy-4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid.
Chemical Property Profile of 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid
Property Insights of 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid. Following Lipinski's Rule of Five, 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid has 1 hydrogen bond donor(s) and 5 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 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid?
The CAS number of 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid is 59429-75-3.
What is the molecular formula of 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid?
The molecular formula of 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid is C12H11ClO4S.
What is the molecular weight of 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid?
The molecular weight of 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid is 286.01 g/mol.
Where can I buy 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid?
You can request a quote for 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.