(2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid
TL;DR: (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid (CAS 51570-50-4) is a chemical compound with molecular formula C23H43NO3S and molecular weight 413.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid
Also Known As: L-Methionine,N-[(9Z)-1-oxo-9-octadecen-1-yl]-
| Molecular Formula | C23H43NO3S |
|---|---|
| Molecular Weight | 413.30 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 413.29636 |
| Heavy Atoms | 28 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 51570-50-4 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O |
| InChIKey | ATFITIQQSWCPIQ-NRFANRHFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid (CAS 51570-50-4), with molecular formula C23H43NO3S and molecular weight 413.30 g/mol. IUPAC: (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid.
Chemical Property Profile of (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid
Property Insights of (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid
The XLogP value of 7.7 indicates that (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid. Following Lipinski's Rule of Five, (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid?
The CAS number of (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid is 51570-50-4.
What is the molecular formula of (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid?
The molecular formula of (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid is C23H43NO3S.
What is the molecular weight of (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid?
The molecular weight of (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid is 413.30 g/mol.
Where can I buy (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid?
You can request a quote for (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-4-methylsulfanyl-2-(octadec-9-enoylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.