2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-
TL;DR: 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo- (CAS 86628-18-4) is a chemical compound with molecular formula C11H10O3S and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid
Also Known As: 1-Thio-4-chromanone-2-acetic acid, 1-Thio-4-chromanone-2-aceticacid, 3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-acetic acid, 2-(4-oxothiochroman-2-yl)acetic acid, (4-oxo-thiochroman-2-yl)acetic acid
| Molecular Formula | C11H10O3S |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 2.2084 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.03506 |
| Heavy Atoms | 15 |
| Complexity | 414.04898 |
Chemical Identifiers
| CAS Number | 86628-18-4 |
|---|---|
| SMILES | C1C(SC2=CC=CC=C2C1=O)CC(=O)O |
Product Overview
2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo- (CAS 86628-18-4), with molecular formula C11H10O3S and molecular weight 222.04 g/mol. IUPAC: 2-(4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid.
Chemical Property Profile of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-
Property Insights of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-
The XLogP value of 2.2084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-. With a topological polar surface area (TPSA) of 54.37 Ų, 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo- 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-4-oxo- 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 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-?
The CAS number of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo- is 86628-18-4.
What is the molecular formula of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-?
The molecular formula of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo- is C11H10O3S.
What is the molecular weight of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-?
The molecular weight of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo- is 222.04 g/mol.
Where can I buy 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-?
You can request a quote for 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo- 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-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.