Pepsin Inhibitor
TL;DR: Pepsin Inhibitor (CAS 84062-22-6) is a chemical compound with molecular formula C25H47N3O6 and molecular weight 485.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate
Also Known As: Pepsin Inhibitor, Isovaleryl-Val-Val-Sta-OEt, 2(3H)-Benzoxazolone,3-(3-methyl-1-oxobutyl), 3-HYDROXY-6-METHYL-4-(3-METHYL-2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER, ethyl (3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate
| Molecular Formula | C25H47N3O6 |
|---|---|
| Molecular Weight | 485.35 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 485.3465 |
| Heavy Atoms | 34 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 84062-22-6 |
|---|---|
| SMILES | CCOC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O |
| InChIKey | SMVMSLPPAGGLDL-ZZTDLJEGSA-N |
Product Overview
Pepsin Inhibitor (CAS 84062-22-6), with molecular formula C25H47N3O6 and molecular weight 485.35 g/mol. IUPAC: ethyl (3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate.
Chemical Property Profile of Pepsin Inhibitor
Property Insights of Pepsin Inhibitor
The XLogP value of 3.6 indicates that Pepsin Inhibitor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pepsin Inhibitor. Following Lipinski's Rule of Five, Pepsin Inhibitor has 4 hydrogen bond donor(s) and 6 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 Pepsin Inhibitor?
The CAS number of Pepsin Inhibitor is 84062-22-6.
What is the molecular formula of Pepsin Inhibitor?
The molecular formula of Pepsin Inhibitor is C25H47N3O6.
What is the molecular weight of Pepsin Inhibitor?
The molecular weight of Pepsin Inhibitor is 485.35 g/mol.
Where can I buy Pepsin Inhibitor?
You can request a quote for Pepsin Inhibitor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pepsin Inhibitor?
Yes, KEHONG BIO provides custom synthesis services for Pepsin Inhibitor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.