Diphthine
TL;DR: Diphthine (CAS 75645-23-7) is a chemical compound with molecular formula C13H22N4O4 and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-amino-4-[5-(2-amino-2-carboxyethyl)-1,1,3-trimethyl-2H-imidazol-1-ium-2-yl]but-3-enoate
Also Known As: Diphthine, (E)-2-amino-4-[5-(2-amino-3-hydroxy-3-oxopropyl)-1,1,3-trimethyl-2H-imidazol-1-ium-2-yl]but-3-enoate, 1H-Imidazole-2-propanaminium, 4-(2-amino-2-carboxyethyl)-alpha-carboxy-N,N,N-trimethyl-, hydroxide, inner salt
| Molecular Formula | C13H22N4O4 |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | -2.3889 |
| Topological Polar Surface Area | 132.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.1641 |
| Heavy Atoms | 21 |
| Complexity | 486.56293 |
Chemical Identifiers
| CAS Number | 75645-23-7 |
|---|---|
| SMILES | CN1C=C([N+](C1/C=C/C(C(=O)[O-])N)(C)C)CC(C(=O)O)N |
Product Overview
Diphthine (CAS 75645-23-7), with molecular formula C13H22N4O4 and molecular weight 298.16 g/mol. IUPAC: (E)-2-amino-4-[5-(2-amino-2-carboxyethyl)-1,1,3-trimethyl-2H-imidazol-1-ium-2-yl]but-3-enoate.
Chemical Property Profile of Diphthine
Property Insights of Diphthine
The XLogP value of -2.3889 indicates that Diphthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphthine. Following Lipinski's Rule of Five, Diphthine has 3 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 Diphthine?
The CAS number of Diphthine is 75645-23-7.
What is the molecular formula of Diphthine?
The molecular formula of Diphthine is C13H22N4O4.
What is the molecular weight of Diphthine?
The molecular weight of Diphthine is 298.16 g/mol.
Where can I buy Diphthine?
You can request a quote for Diphthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphthine?
Yes, KEHONG BIO provides custom synthesis services for Diphthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.