N-乙酰-L-半胱氨酸乙酯
TL;DR: N-乙酰-L-半胱氨酸乙酯 (CAS 59587-09-6) is a chemical compound with molecular formula C7H13NO3S and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-乙酰-L-半胱氨酸乙酯
ethyl (2R)-2-acetamido-3-sulfanylpropanoate
Also Known As: N-ACETYL-L-CYSTEINE ETHYL ESTER, Alamethicin I, (R)-ethyl 2-acetamido-3-mercaptopropanoate, L-Cysteine, N-acetyl-, ethyl ester, n-acetylcysteine ethyl ester
| Molecular Formula | C7H13NO3S |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.06161 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 59587-09-6 |
|---|---|
| SMILES | CCOC(=O)[C@H](CS)NC(=O)C |
| InChIKey | MSMRAGNKRYVTCX-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-乙酰-L-半胱氨酸乙酯 (CAS 59587-09-6), with molecular formula C7H13NO3S and molecular weight 191.06 g/mol. IUPAC: ethyl (2R)-2-acetamido-3-sulfanylpropanoate.
Chemical Property Profile of N-乙酰-L-半胱氨酸乙酯
Property Insights of N-乙酰-L-半胱氨酸乙酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-乙酰-L-半胱氨酸乙酯. With a topological polar surface area (TPSA) of 56.4 Ų, N-乙酰-L-半胱氨酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-乙酰-L-半胱氨酸乙酯 has 2 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 N-乙酰-L-半胱氨酸乙酯?
The CAS number of N-乙酰-L-半胱氨酸乙酯 is 59587-09-6.
What is the molecular formula of N-乙酰-L-半胱氨酸乙酯?
The molecular formula of N-乙酰-L-半胱氨酸乙酯 is C7H13NO3S.
What is the molecular weight of N-乙酰-L-半胱氨酸乙酯?
The molecular weight of N-乙酰-L-半胱氨酸乙酯 is 191.06 g/mol.
Where can I buy N-乙酰-L-半胱氨酸乙酯?
You can request a quote for N-乙酰-L-半胱氨酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-乙酰-L-半胱氨酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-乙酰-L-半胱氨酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.