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N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine structure
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N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine

TL;DR: N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine (CAS 144505-58-8) is a chemical compound with molecular formula C16H23NO3S2 and molecular weight 341.11194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2S)-2-[[(2S)-2-[(2-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoic acid

Also Known As: NEP-IN-2, Cgs 26129, Sch 42354, N[2(S)-MERCAPTOMETHYL-3-(2-METHYLPHENYL)PROPIONYL]-(S)-METHIONINE, N-(3-Mercapto-2-((2-methylphenyl)methyl)-1-oxopropyl)methionine

CAS Number
144505-58-8
Molecular Formula
C16H23NO3S2
Molecular Weight
341.11194 g/mol
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Technical Specifications

Molecular FormulaC16H23NO3S2
Molecular Weight341.11194 g/mol
XLogP2.2
Topological Polar Surface Area (TPSA)92.7 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors5
Rotatable Bonds9
Exact Mass341.11194 Da
Heavy Atoms22
Complexity365.0
SMILESCC1=CC=CC=C1C[C@H](CS)C(=O)N[C@@H](CCSC)C(=O)O
InChIKeyFGXXIAHRYGHABD-KGLIPLIRSA-N

Chemical Property Profile of N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine

XLogP
2.2
TPSA (Topological Polar Surface Area)
92.7
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
Rotatable Bonds
9
Heavy Atoms
22
Complexity
365.0
Exact Mass
341.11194
Monoisotopic Mass
341.11194
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine

The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine. Following Lipinski's Rule of Five, N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine?

The CAS number of N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine is 144505-58-8.

What is the molecular formula of N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine?

The molecular formula of N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine is C16H23NO3S2.

What is the molecular weight of N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine?

The molecular weight of N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine is 341.11194 g/mol.

Where can I buy N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine?

You can request a quote for N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine?

Yes, CoreyChem provides custom synthesis services for N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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