S-(2-Acetamidoethyl) but-2-enethioate
TL;DR: S-(2-Acetamidoethyl) but-2-enethioate (CAS 23784-20-5) is a chemical compound with molecular formula C8H13NO2S and molecular weight 187.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-acetamidoethyl) but-2-enethioate
Also Known As: S-Crotonyl-N-acetylcysteamine, S-(2-Acetamidoethyl) but-2-enethioate, S-[2-(Acetylamino)ethyl] 2-butenethioate, 2-Butenethioic acid,S-[2-(acetylamino)ethyl] ester
| Molecular Formula | C8H13NO2S |
|---|---|
| Molecular Weight | 187.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.0667 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 23784-20-5 |
|---|---|
| SMILES | CC=CC(=O)SCCNC(=O)C |
| InChIKey | NPCILKSVBCGAGM-UHFFFAOYSA-N |
Product Overview
S-(2-Acetamidoethyl) but-2-enethioate (CAS 23784-20-5), with molecular formula C8H13NO2S and molecular weight 187.07 g/mol. IUPAC: S-(2-acetamidoethyl) but-2-enethioate.
Chemical Property Profile of S-(2-Acetamidoethyl) but-2-enethioate
Property Insights of S-(2-Acetamidoethyl) but-2-enethioate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Acetamidoethyl) but-2-enethioate. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-Acetamidoethyl) but-2-enethioate. Following Lipinski's Rule of Five, S-(2-Acetamidoethyl) but-2-enethioate 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 S-(2-Acetamidoethyl) but-2-enethioate?
The CAS number of S-(2-Acetamidoethyl) but-2-enethioate is 23784-20-5.
What is the molecular formula of S-(2-Acetamidoethyl) but-2-enethioate?
The molecular formula of S-(2-Acetamidoethyl) but-2-enethioate is C8H13NO2S.
What is the molecular weight of S-(2-Acetamidoethyl) but-2-enethioate?
The molecular weight of S-(2-Acetamidoethyl) but-2-enethioate is 187.07 g/mol.
Where can I buy S-(2-Acetamidoethyl) but-2-enethioate?
You can request a quote for S-(2-Acetamidoethyl) but-2-enethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Acetamidoethyl) but-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Acetamidoethyl) but-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.