(6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid
TL;DR: (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid (CAS 86628-19-5) is a chemical compound with molecular formula C12H12O3S and molecular weight 236.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methyl-4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid
Also Known As: 3,4-Dihydro-6-methyl-4-oxo-2H-1-benzothiopyran-2-acetic acid, 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, 2-(6-methyl-4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid, (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid, RefChem:1050663
| Molecular Formula | C12H12O3S |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | 2.51682 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.05072 |
| Heavy Atoms | 16 |
| Complexity | 453.57715 |
Chemical Identifiers
| CAS Number | 86628-19-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(CC2=O)CC(=O)O |
Product Overview
(6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid (CAS 86628-19-5), with molecular formula C12H12O3S and molecular weight 236.05 g/mol. IUPAC: 2-(6-methyl-4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid.
Chemical Property Profile of (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid
Property Insights of (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid
The XLogP value of 2.51682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid. With a topological polar surface area (TPSA) of 54.37 Ų, (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid has 1 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 (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid?
The CAS number of (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid is 86628-19-5.
What is the molecular formula of (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid?
The molecular formula of (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid is C12H12O3S.
What is the molecular weight of (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid?
The molecular weight of (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid is 236.05 g/mol.
Where can I buy (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid?
You can request a quote for (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-Methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.