2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester
TL;DR: 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester (CAS 86628-21-9) is a chemical compound with molecular formula C12H11ClO3S and molecular weight 270.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6-chloro-4-oxo-2,3-dihydrothiochromen-2-yl)acetate
Also Known As: Methyl 6-chloro-1-thio-4-chromanone-2-acetate, 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester, methyl 2-(6-chloro-4-oxo-2,3-dihydrothiochromen-2-yl)acetate, Methyl (6-chloro-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate, RefChem:1065205
| Molecular Formula | C12H11ClO3S |
|---|---|
| Molecular Weight | 270.01 g/mol |
| LogP | 2.9502 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.01175 |
| Heavy Atoms | 17 |
| Complexity | 472.81857 |
Chemical Identifiers
| CAS Number | 86628-21-9 |
|---|---|
| SMILES | COC(=O)CC1CC(=O)C2=C(S1)C=CC(=C2)Cl |
Product Overview
2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester (CAS 86628-21-9), with molecular formula C12H11ClO3S and molecular weight 270.01 g/mol. IUPAC: methyl 2-(6-chloro-4-oxo-2,3-dihydrothiochromen-2-yl)acetate.
Chemical Property Profile of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester
Property Insights of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester
The XLogP value of 2.9502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester 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 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester?
The CAS number of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester is 86628-21-9.
What is the molecular formula of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester?
The molecular formula of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester is C12H11ClO3S.
What is the molecular weight of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester?
The molecular weight of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester is 270.01 g/mol.
Where can I buy 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester?
You can request a quote for 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-chloro-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.