![[2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid structure](/static/products/3654/36540-21-3.webp)
[2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid
TL;DR: [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid (CAS 36540-21-3) is a chemical compound with molecular formula C12H17NO3S3 and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid
Also Known As: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid|(2-(((2-(Acetylamino)ethyl)dithio)methyl)phenyl)methanesulfinic acid|Benzenemethanesulfinic acid, 2-[[[2-(acetylamino)ethyl]dithio]methyl]-|Benzenemethanesulfinic acid, {2-[[[2-(acetylamino)ethyl]dithio]methyl]-,} monosodium salt|Benzenemethanesulfinic acid, 2-[[[2- (acetylamino)ethyl]dithio]methyl]-, monosodium salt|Benzenemethanesulfinic acid, 2-[[[2-(acetylamino)ethyl]dithio]methyl]-, monosodium salt
| Molecular Formula | C12H17NO3S3 |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.03705 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 36540-21-3 |
|---|---|
| SMILES | CC(=O)NCCSSCC1=CC=CC=C1CS(=O)O |
| InChIKey | WSBOUSNRMAROOJ-UHFFFAOYSA-N |
Product Overview
[2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid (CAS 36540-21-3), with molecular formula C12H17NO3S3 and molecular weight 319.04 g/mol. IUPAC: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid.
Chemical Property Profile of [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid
Property Insights of [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid. Following Lipinski's Rule of Five, [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid has 2 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 [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid?
The CAS number of [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid is 36540-21-3.
What is the molecular formula of [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid?
The molecular formula of [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid is C12H17NO3S3.
What is the molecular weight of [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid?
The molecular weight of [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid is 319.04 g/mol.
Where can I buy [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid?
You can request a quote for [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid?
Yes, KEHONG BIO provides custom synthesis services for [2-[(2-Acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.