Alphostatin
TL;DR: Alphostatin (CAS 90119-88-3) is a chemical compound with molecular formula C25H45N6O13P and molecular weight 668.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl] 5-O-phosphono (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanedioate
Also Known As: Alphostatin, Ile-Ile-phospho-Ser-Gln-Glu, Isoleucyl-isoleucyl-phosphoseryl-glutaminyl-glutamic acid, 1-O-[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl] 5-O-phosphono (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanedioate, L-Glutamic acid, N-(N(sup 2)-(N-(N-L-isoleucyl-L-isoleucyl)-O-phosphono-L-seryl)-L-glutaminyl)-, hydrate
| Molecular Formula | C25H45N6O13P |
|---|---|
| Molecular Weight | 668.28 g/mol |
| LogP | -5.5 |
| Topological Polar Surface Area | 330.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 23 |
| Exact Mass | 668.2782 |
| Heavy Atoms | 45 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 90119-88-3 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)N)N |
| InChIKey | HYZKMTKXJALNPM-NKURYSMOSA-N |
Product Overview
Alphostatin (CAS 90119-88-3), with molecular formula C25H45N6O13P and molecular weight 668.28 g/mol. IUPAC: 1-O-[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl] 5-O-phosphono (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanedioate.
Chemical Property Profile of Alphostatin
Property Insights of Alphostatin
The XLogP value of -5.5 indicates that Alphostatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 330.0 Ų indicates high polarity, suggesting Alphostatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alphostatin has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alphostatin?
The CAS number of Alphostatin is 90119-88-3.
What is the molecular formula of Alphostatin?
The molecular formula of Alphostatin is C25H45N6O13P.
What is the molecular weight of Alphostatin?
The molecular weight of Alphostatin is 668.28 g/mol.
Where can I buy Alphostatin?
You can request a quote for Alphostatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alphostatin?
Yes, KEHONG BIO provides custom synthesis services for Alphostatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.