1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine
TL;DR: 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine (CAS 74259-02-2) is a chemical compound with molecular formula C21H28N2O5S and molecular weight 420.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-propanoylsulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine, (S)-N-(1-(2-Methyl-1-oxo-3-((1-oxopropyl)thio)propyl)-L-prolyl)-L-phenylalanine, L-Phenylalanine, N-(1-(2-methyl-1-oxo-3-((1-oxopropyl)thio)propyl)-L-prolyl)-, (S)-, (2S)-2-[[(2S)-1-[(2S)-2-methyl-3-propanoylsulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid, (2S)-2-[[(2S)-1-(2-methyl-3-propanoylsulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
| Molecular Formula | C21H28N2O5S |
|---|---|
| Molecular Weight | 420.17 g/mol |
| LogP | 2.0954 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.1719 |
| Heavy Atoms | 29 |
| Complexity | 739.8468 |
Chemical Identifiers
| CAS Number | 74259-02-2 |
|---|---|
| SMILES | CCC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O |
Product Overview
1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine (CAS 74259-02-2), with molecular formula C21H28N2O5S and molecular weight 420.17 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2S)-2-methyl-3-propanoylsulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine
Property Insights of 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine
The XLogP value of 2.0954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine. Following Lipinski's Rule of Five, 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine 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 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine?
The CAS number of 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine is 74259-02-2.
What is the molecular formula of 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine?
The molecular formula of 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine is C21H28N2O5S.
What is the molecular weight of 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine?
The molecular weight of 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine is 420.17 g/mol.
Where can I buy 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine?
You can request a quote for 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for 1-(D-3-Propanoylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.