2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid
TL;DR: 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid (CAS 4816-11-9) is a chemical compound with molecular formula C12H14O4S and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-dioxothiolan-3-yl)-2-phenylacetic acid
Also Known As: KST-1A0304, 2-(1,1-dioxothiolan-3-yl)-2-phenylacetic acid, (1,1-dioxidotetrahydrothiophen-3-yl)(phenyl)acetic acid, (1,1-Dioxo-1lambda~6~-thiolan-3-yl)(phenyl)acetic acid, 3-Thiopheneacetic acid,tetrahydro-a-phenyl-, 1,1-dioxide
| Molecular Formula | C12H14O4S |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.06128 |
| Heavy Atoms | 17 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 4816-11-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1C(C2=CC=CC=C2)C(=O)O |
| InChIKey | ZOXOGMHXJTVERD-UHFFFAOYSA-N |
Product Overview
2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid (CAS 4816-11-9), with molecular formula C12H14O4S and molecular weight 254.06 g/mol. IUPAC: 2-(1,1-dioxothiolan-3-yl)-2-phenylacetic acid.
Chemical Property Profile of 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid
Property Insights of 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid. Following Lipinski's Rule of Five, 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid has 1 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 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid?
The CAS number of 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid is 4816-11-9.
What is the molecular formula of 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid?
The molecular formula of 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid is C12H14O4S.
What is the molecular weight of 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid?
The molecular weight of 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid is 254.06 g/mol.
Where can I buy 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid?
You can request a quote for 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dioxothiolan-3-yl)-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.