乙醯半胱氨酸
TL;DR: 乙醯半胱氨酸 (CAS 616-91-1) is a chemical compound with molecular formula C5H9NO3S and molecular weight 163.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙醯半胱氨酸
(2R)-2-acetamido-3-sulfanylpropanoic acid
Also Known As: acetylcysteine, N-Acetyl-L-cysteine, N-Acetylcysteine, mercapturic acid, Acetadote
| Molecular Formula | C5H9NO3S |
|---|---|
| Molecular Weight | 163.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.03032 |
| Heavy Atoms | 10 |
| Complexity | 148.0 |
| Melting Point | 109-110 |
| Solubility | 1 G IN 5 ML WATER, 4 ML ALC; PRACTICALLY INSOL IN CHLOROFORM & ETHER |
| Vapor Pressure | 1.1X10-5 mm Hg at 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 616-91-1 |
|---|---|
| SMILES | CC(=O)N[C@@H](CS)C(=O)O |
| InChIKey | PWKSKIMOESPYIA-BYPYZUCNSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙醯半胱氨酸 (CAS 616-91-1), with molecular formula C5H9NO3S and molecular weight 163.03 g/mol. IUPAC: (2R)-2-acetamido-3-sulfanylpropanoic acid.
Chemical Property Profile of 乙醯半胱氨酸
Property Insights of 乙醯半胱氨酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙醯半胱氨酸. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙醯半胱氨酸. Following Lipinski's Rule of Five, 乙醯半胱氨酸 has 3 hydrogen bond donor(s) and 4 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 乙醯半胱氨酸?
The CAS number of 乙醯半胱氨酸 is 616-91-1.
What is the molecular formula of 乙醯半胱氨酸?
The molecular formula of 乙醯半胱氨酸 is C5H9NO3S.
What is the molecular weight of 乙醯半胱氨酸?
The molecular weight of 乙醯半胱氨酸 is 163.03 g/mol.
Where can I buy 乙醯半胱氨酸?
You can request a quote for 乙醯半胱氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙醯半胱氨酸?
Yes, KEHONG BIO provides custom synthesis services for 乙醯半胱氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.