Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate
TL;DR: Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate (CAS 86628-22-0) is a chemical compound with molecular formula C13H14O3S and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6-methyl-4-oxo-2,3-dihydrothiochromen-2-yl)acetate
Also Known As: Methyl 6-methyl-1-thio-4-chromanone-2-acetate, 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, methyl ester, methyl 2-(6-methyl-4-oxo-2,3-dihydrothiochromen-2-yl)acetate, Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate, RefChem:1089211
| Molecular Formula | C13H14O3S |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 2.60522 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.06636 |
| Heavy Atoms | 17 |
| Complexity | 467.73242 |
Chemical Identifiers
| CAS Number | 86628-22-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(CC2=O)CC(=O)OC |
Product Overview
Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate (CAS 86628-22-0), with molecular formula C13H14O3S and molecular weight 250.07 g/mol. IUPAC: methyl 2-(6-methyl-4-oxo-2,3-dihydrothiochromen-2-yl)acetate.
Chemical Property Profile of Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate
Property Insights of Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate
The XLogP value of 2.60522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate has 0 hydrogen bond donor(s) and 4 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 Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate?
The CAS number of Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate is 86628-22-0.
What is the molecular formula of Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate?
The molecular formula of Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate is C13H14O3S.
What is the molecular weight of Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate?
The molecular weight of Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate is 250.07 g/mol.
Where can I buy Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate?
You can request a quote for Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.