Amastatin hydrochloride
TL;DR: Amastatin hydrochloride (CAS 100938-10-1) is a chemical compound with molecular formula C21H39ClN4O8 and molecular weight 510.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid;hydrochloride
Also Known As: Amastatin hydrochloride, Amastatin HCl, Amastatin, Amastatin . HCl, Amastatin (hydrochloride)
| Molecular Formula | C21H39ClN4O8 |
|---|---|
| Molecular Weight | 510.25 g/mol |
| LogP | -0.5318 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 510.24564 |
| Heavy Atoms | 34 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 100938-10-1 |
|---|---|
| SMILES | CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N.Cl |
| InChIKey | GBDUPCKQTDKNLS-PORDUOSCSA-N |
Product Overview
Amastatin hydrochloride (CAS 100938-10-1), with molecular formula C21H39ClN4O8 and molecular weight 510.25 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid;hydrochloride.
Chemical Property Profile of Amastatin hydrochloride
Property Insights of Amastatin hydrochloride
The XLogP value of -0.5318 indicates that Amastatin hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting Amastatin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amastatin hydrochloride has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amastatin hydrochloride?
The CAS number of Amastatin hydrochloride is 100938-10-1.
What is the molecular formula of Amastatin hydrochloride?
The molecular formula of Amastatin hydrochloride is C21H39ClN4O8.
What is the molecular weight of Amastatin hydrochloride?
The molecular weight of Amastatin hydrochloride is 510.25 g/mol.
Where can I buy Amastatin hydrochloride?
You can request a quote for Amastatin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amastatin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Amastatin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.