Edeine D
TL;DR: Edeine D (CAS 5345-19-7) is a chemical compound with molecular formula C33H58N10O9 and molecular weight 738.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxypropanoyl]-[(2S)-3-amino-2-phenylpropanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]acetyl]amino]-7-hydroxy-9-oxononanoic acid
Also Known As: Edeine D, 1-(D-3-Phenyl-beta-alanine)edeine A1, KST-1A5476, (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxypropanoyl]-[(2S)-3-amino-2-phenylpropanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]acetyl]amino]-7-hydroxy-9-oxononanoic acid, (2r,6s,7r)-6-amino-2-({3-amino-n-[(3r)-3-amino-3-hydroxypropanoyl]-n-[(2s)-3-amino-2-phenylpropanoyl]-l-alanyl}amino)-9-[(n-{3-[(4-aminobutyl)amino]propyl}glycyl)amino]-7-hydroxy-9-oxononanoic acid
| Molecular Formula | C33H58N10O9 |
|---|---|
| Molecular Weight | 738.44 g/mol |
| LogP | -7.6 |
| Topological Polar Surface Area | 345.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 27 |
| Exact Mass | 738.43884 |
| Heavy Atoms | 52 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 5345-19-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@@H](CN)C(=O)N([C@@H](CN)C(=O)N[C@H](CCC[C@@H]([C@@H](CC(=O)NC(=O)CNCCCNCCCCN)O)N)C(=O)O)C(=O)C[C@H](N)O |
| InChIKey | FPJBIRIVZPUIOL-DDURVGIBSA-N |
Product Overview
Edeine D (CAS 5345-19-7), with molecular formula C33H58N10O9 and molecular weight 738.44 g/mol. IUPAC: (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxypropanoyl]-[(2S)-3-amino-2-phenylpropanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]acetyl]amino]-7-hydroxy-9-oxononanoic acid.
Chemical Property Profile of Edeine D
Property Insights of Edeine D
The XLogP value of -7.6 indicates that Edeine D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 345.0 Ų indicates high polarity, suggesting Edeine D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Edeine D has 12 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Edeine D?
The CAS number of Edeine D is 5345-19-7.
What is the molecular formula of Edeine D?
The molecular formula of Edeine D is C33H58N10O9.
What is the molecular weight of Edeine D?
The molecular weight of Edeine D is 738.44 g/mol.
Where can I buy Edeine D?
You can request a quote for Edeine D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Edeine D?
Yes, KEHONG BIO provides custom synthesis services for Edeine D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.