I-152
TL;DR: I-152 (CAS 31335-50-9) is a chemical compound with molecular formula C9H16N2O3S2 and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]ethyl] ethanethioate
Also Known As: J1.536.973F, s-{2-[(n-acetyl-l-cysteinyl)amino]ethyl} ethanethioate, Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester, N-(N-ACETYL-L-CYSTEINYL)-S-ACETYLCYSTEAMINE, N-[2-(Acetylthio)ethyl]-Nalpha-acetyl-L-cysteinamide
| Molecular Formula | C9H16N2O3S2 |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.06024 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 31335-50-9 |
|---|---|
| SMILES | CC(=O)N[C@@H](CS)C(=O)NCCSC(=O)C |
| InChIKey | PCFWUYJHCYCQKP-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
I-152 (CAS 31335-50-9), with molecular formula C9H16N2O3S2 and molecular weight 264.06 g/mol. IUPAC: S-[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]ethyl] ethanethioate.
Chemical Property Profile of I-152
Property Insights of I-152
The XLogP value of -0.4 indicates that I-152 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for I-152. Following Lipinski's Rule of Five, I-152 has 3 hydrogen bond donor(s) and 5 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 I-152?
The CAS number of I-152 is 31335-50-9.
What is the molecular formula of I-152?
The molecular formula of I-152 is C9H16N2O3S2.
What is the molecular weight of I-152?
The molecular weight of I-152 is 264.06 g/mol.
Where can I buy I-152?
You can request a quote for I-152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I-152?
Yes, KEHONG BIO provides custom synthesis services for I-152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.