Leucine thiorphan
TL;DR: Leucine thiorphan (CAS 88728-48-7) is a chemical compound with molecular formula C16H23NO3S and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methylpentanoic acid
Also Known As: Leucine thiorphan, Leu-thiorphan, (2-benzyl-3-mercaptopropanoyl)-L-leucine, N-[2'-Benzyl-3'-mercaptopropionyl]leucine, (2S)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methylpentanoic acid
| Molecular Formula | C16H23NO3S |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.13986 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 88728-48-7 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS |
| InChIKey | PISCFNDSARITBO-KZUDCZAMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Leucine thiorphan (CAS 88728-48-7), with molecular formula C16H23NO3S and molecular weight 309.14 g/mol. IUPAC: (2S)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methylpentanoic acid.
Chemical Property Profile of Leucine thiorphan
Property Insights of Leucine thiorphan
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Leucine thiorphan. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Leucine thiorphan. Following Lipinski's Rule of Five, Leucine thiorphan has 3 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 Leucine thiorphan?
The CAS number of Leucine thiorphan is 88728-48-7.
What is the molecular formula of Leucine thiorphan?
The molecular formula of Leucine thiorphan is C16H23NO3S.
What is the molecular weight of Leucine thiorphan?
The molecular weight of Leucine thiorphan is 309.14 g/mol.
Where can I buy Leucine thiorphan?
You can request a quote for Leucine thiorphan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leucine thiorphan?
Yes, KEHONG BIO provides custom synthesis services for Leucine thiorphan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.