Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate
TL;DR: Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate (CAS 49550-09-6) is a chemical compound with molecular formula C8H17NO2S and molecular weight 191.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-amino-4-methylsulfanylbutanoate
Also Known As: methionine isopropyl ester, dl-methionine isopropyl ester, L-Methionine, 1-Methylethyl ester, Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate, propan-2-yl 2-amino-4-methylsulfanylbutanoate
| Molecular Formula | C8H17NO2S |
|---|---|
| Molecular Weight | 191.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 191.098 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 49550-09-6 |
|---|---|
| SMILES | CC(C)OC(=O)C(CCSC)N |
| InChIKey | WLUAUPQSKOQURS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate (CAS 49550-09-6), with molecular formula C8H17NO2S and molecular weight 191.10 g/mol. IUPAC: propan-2-yl 2-amino-4-methylsulfanylbutanoate.
Chemical Property Profile of Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate
Property Insights of Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate. Following Lipinski's Rule of Five, Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate has 1 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 Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate?
The CAS number of Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate is 49550-09-6.
What is the molecular formula of Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate?
The molecular formula of Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate is C8H17NO2S.
What is the molecular weight of Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate?
The molecular weight of Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate is 191.10 g/mol.
Where can I buy Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate?
You can request a quote for Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.