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Pepstatin A structure
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Pepstatin A

TL;DR: Pepstatin A (CAS 26305-03-3) is a chemical compound with molecular formula C34H63N5O9 and molecular weight 685.4626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid

Also Known As: Pepstatin A, pepstatin, Ahpatinin C, Pepstatina, Pepstatine

CAS Number
26305-03-3
Molecular Formula
C34H63N5O9
Molecular Weight
685.4626 g/mol
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Technical Specifications

Molecular FormulaC34H63N5O9
Molecular Weight685.4626 g/mol
XLogP3.0
Topological Polar Surface Area (TPSA)223.0 Ų
Hydrogen Bond Donors8
Hydrogen Bond Acceptors9
Rotatable Bonds22
Exact Mass685.4626 Da
Heavy Atoms48
Complexity1060.0
SMILESCC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
InChIKeyFAXGPCHRFPCXOO-UHFFFAOYSA-N

Chemical Property Profile of Pepstatin A

XLogP
3.0
TPSA (Topological Polar Surface Area)
223.0
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
9
Rotatable Bonds
22
Heavy Atoms
48
Complexity
1060.0
Exact Mass
685.4626
Monoisotopic Mass
685.4626
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 Pepstatin A

The XLogP value of 3.0 indicates that Pepstatin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 223.0 Ų indicates high polarity, suggesting Pepstatin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pepstatin A has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Pepstatin A?

The CAS number of Pepstatin A is 26305-03-3.

What is the molecular formula of Pepstatin A?

The molecular formula of Pepstatin A is C34H63N5O9.

What is the molecular weight of Pepstatin A?

The molecular weight of Pepstatin A is 685.4626 g/mol.

Where can I buy Pepstatin A?

You can request a quote for Pepstatin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Pepstatin A?

Yes, CoreyChem provides custom synthesis services for Pepstatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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