Midesteine
TL;DR: Midesteine (CAS 94149-41-4) is a chemical compound with molecular formula C12H13NO3S3 and molecular weight 315.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[1-oxo-1-[(2-oxothiolan-3-yl)amino]propan-2-yl] thiophene-2-carbothioate
Also Known As: Midesteine, Midesteina, Midesteinum, Midesteine [INN], Midesteinum [INN-Latin]
| Molecular Formula | C12H13NO3S3 |
|---|---|
| Molecular Weight | 315.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.00577 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 94149-41-4 |
|---|---|
| SMILES | CC(C(=O)NC1CCSC1=O)SC(=O)C2=CC=CS2 |
| InChIKey | MKTVMEMIKNBVHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Midesteine (CAS 94149-41-4), with molecular formula C12H13NO3S3 and molecular weight 315.01 g/mol. IUPAC: S-[1-oxo-1-[(2-oxothiolan-3-yl)amino]propan-2-yl] thiophene-2-carbothioate.
Chemical Property Profile of Midesteine
Property Insights of Midesteine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Midesteine. The TPSA of 142.0 Ų indicates high polarity, suggesting Midesteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Midesteine has 1 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 Midesteine?
The CAS number of Midesteine is 94149-41-4.
What is the molecular formula of Midesteine?
The molecular formula of Midesteine is C12H13NO3S3.
What is the molecular weight of Midesteine?
The molecular weight of Midesteine is 315.01 g/mol.
Where can I buy Midesteine?
You can request a quote for Midesteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Midesteine?
Yes, KEHONG BIO provides custom synthesis services for Midesteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.