N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide
TL;DR: N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide (CAS 35819-81-9) is a chemical compound with molecular formula C8H13NO6S and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(2-carboxyethylsulfinyl)propanoic acid
Also Known As: ACECO, N-Acetyl-S-(2-carboxyethyl)cysteine sulfoxide, n-acetyl-3-[(2-carboxyethyl)sulfinyl]-l-alanine, N-acetyl-S-(2-carboxyethyl)cysteine-S-oxide, (2R)-2-acetamido-3-(2-carboxyethylsulfinyl)propanoic acid
| Molecular Formula | C8H13NO6S |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.04636 |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 35819-81-9 |
|---|---|
| SMILES | CC(=O)N[C@@H](CS(=O)CCC(=O)O)C(=O)O |
| InChIKey | MIANMZBSGSPFQC-AIUXZDRISA-N |
Product Overview
N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide (CAS 35819-81-9), with molecular formula C8H13NO6S and molecular weight 251.05 g/mol. IUPAC: (2R)-2-acetamido-3-(2-carboxyethylsulfinyl)propanoic acid.
Chemical Property Profile of N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide
Property Insights of N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide
The XLogP value of -2.3 indicates that N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide has 3 hydrogen bond donor(s) and 7 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 N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide?
The CAS number of N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide is 35819-81-9.
What is the molecular formula of N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide?
The molecular formula of N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide is C8H13NO6S.
What is the molecular weight of N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide?
The molecular weight of N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide is 251.05 g/mol.
Where can I buy N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide?
You can request a quote for N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-S-(2-carboxyethyl)cysteine sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.