Acetylpepstatin
TL;DR: Acetylpepstatin (CAS 11076-29-2) is a chemical compound with molecular formula C31H57N5O9 and molecular weight 643.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methylheptanoic acid
Also Known As: Acetyl-pepstatin, Acetylpepstatin, Acetyl pepstatin, Pepstatin Ac, Pepsidine C
| Molecular Formula | C31H57N5O9 |
|---|---|
| Molecular Weight | 643.42 g/mol |
| LogP | 0.441 |
| Topological Polar Surface Area | 223.26 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 643.41565 |
| Heavy Atoms | 45 |
| Complexity | 1001.9371 |
Chemical Identifiers
| CAS Number | 11076-29-2 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=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)C)O |
Product Overview
Acetylpepstatin (CAS 11076-29-2), with molecular formula C31H57N5O9 and molecular weight 643.42 g/mol. IUPAC: (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methylheptanoic acid.
Chemical Property Profile of Acetylpepstatin
Property Insights of Acetylpepstatin
The XLogP value of 0.441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylpepstatin. The TPSA of 223.26 Ų indicates high polarity, suggesting Acetylpepstatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetylpepstatin has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetylpepstatin?
The CAS number of Acetylpepstatin is 11076-29-2.
What is the molecular formula of Acetylpepstatin?
The molecular formula of Acetylpepstatin is C31H57N5O9.
What is the molecular weight of Acetylpepstatin?
The molecular weight of Acetylpepstatin is 643.42 g/mol.
Where can I buy Acetylpepstatin?
You can request a quote for Acetylpepstatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylpepstatin?
Yes, KEHONG BIO provides custom synthesis services for Acetylpepstatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.