S-(N-甲基氨基甲酸酯)半胱氨酸乙酯
TL;DR: S-(N-甲基氨基甲酸酯)半胱氨酸乙酯 (CAS 97731-02-7) is a chemical compound with molecular formula C7H14N2O3S and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(N-甲基氨基甲酸酯)半胱氨酸乙酯
ethyl (2R)-2-amino-3-(methylcarbamoylsulfanyl)propanoate
Also Known As: S-(N-Methylcarbamate) cysteine ethyl ester, ethyl s-(methylcarbamoyl)-l-cysteinate, ETHYL CYSTEINATE METHYLCARBAMATE, L-Cysteine, ethyl ester, methylcarbamate (ester), ethyl (2R)-2-amino-3-(methylcarbamoylsulfanyl)propanoate
| Molecular Formula | C7H14N2O3S |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.07251 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 97731-02-7 |
|---|---|
| SMILES | CCOC(=O)[C@H](CSC(=O)NC)N |
| InChIKey | LPGKOEYCWNVAOK-YFKPBYRVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(N-甲基氨基甲酸酯)半胱氨酸乙酯 (CAS 97731-02-7), with molecular formula C7H14N2O3S and molecular weight 206.07 g/mol. IUPAC: ethyl (2R)-2-amino-3-(methylcarbamoylsulfanyl)propanoate.
Chemical Property Profile of S-(N-甲基氨基甲酸酯)半胱氨酸乙酯
Property Insights of S-(N-甲基氨基甲酸酯)半胱氨酸乙酯
The XLogP value of -0.1 indicates that S-(N-甲基氨基甲酸酯)半胱氨酸乙酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(N-甲基氨基甲酸酯)半胱氨酸乙酯. Following Lipinski's Rule of Five, S-(N-甲基氨基甲酸酯)半胱氨酸乙酯 has 2 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 S-(N-甲基氨基甲酸酯)半胱氨酸乙酯?
The CAS number of S-(N-甲基氨基甲酸酯)半胱氨酸乙酯 is 97731-02-7.
What is the molecular formula of S-(N-甲基氨基甲酸酯)半胱氨酸乙酯?
The molecular formula of S-(N-甲基氨基甲酸酯)半胱氨酸乙酯 is C7H14N2O3S.
What is the molecular weight of S-(N-甲基氨基甲酸酯)半胱氨酸乙酯?
The molecular weight of S-(N-甲基氨基甲酸酯)半胱氨酸乙酯 is 206.07 g/mol.
Where can I buy S-(N-甲基氨基甲酸酯)半胱氨酸乙酯?
You can request a quote for S-(N-甲基氨基甲酸酯)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 S-(N-甲基氨基甲酸酯)半胱氨酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for S-(N-甲基氨基甲酸酯)半胱氨酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.