Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester
TL;DR: Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester (CAS 118022-23-4) is a chemical compound with molecular formula C9H12O6S and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate
Also Known As: Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester, dimethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate, Dimethyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)propanedioate, RefChem:374429
| Molecular Formula | C9H12O6S |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | -0.4931 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.03546 |
| Heavy Atoms | 16 |
| Complexity | 405.28015 |
Chemical Identifiers
| CAS Number | 118022-23-4 |
|---|---|
| SMILES | COC(=O)C(C1CS(=O)(=O)C=C1)C(=O)OC |
Product Overview
Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester (CAS 118022-23-4), with molecular formula C9H12O6S and molecular weight 248.04 g/mol. IUPAC: dimethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate.
Chemical Property Profile of Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester
Property Insights of Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester
The XLogP value of -0.4931 indicates that Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester has 0 hydrogen bond donor(s) and 6 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 Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester?
The CAS number of Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester is 118022-23-4.
What is the molecular formula of Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester?
The molecular formula of Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester is C9H12O6S.
What is the molecular weight of Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester?
The molecular weight of Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester is 248.04 g/mol.
Where can I buy Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester?
You can request a quote for Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.