Ebiratide acetate
TL;DR: Ebiratide acetate (CAS 115994-46-2) is a chemical compound with molecular formula C54H85N11O16S and molecular weight 1175.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(2S)-1-(8-aminooctylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]-5-oxopentanoic acid
Also Known As: Ebiratide acetate, Ebiratide triacetate, acetic acid; (4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(2S)-1-(8-aminooctylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]-5-oxopentanoic acid, L-PHENYLALANINAMIDE, (2S)-2-AMINO-4-(METHYLSULFONYL)BUTANOYL-L-.ALPHA.-GLUTAMYL-L-HISTIDYL-L-PHENYLALANYL-D-LYSYL-N.ALPHA.-(8-AMINOOCTYL)-, TRIACETATE
| Molecular Formula | C54H85N11O16S |
|---|---|
| Molecular Weight | 1175.59 g/mol |
| LogP | 0.3056 |
| Topological Polar Surface Area | 464.68 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 35 |
| Exact Mass | 1175.5896 |
| Heavy Atoms | 82 |
| Complexity | 2466.9634 |
Chemical Identifiers
| CAS Number | 115994-46-2 |
|---|---|
| SMILES | CC(=O)O.CC(=O)O.CC(=O)O.CS(=O)(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCCCCCCCCN)N |
Product Overview
Ebiratide acetate (CAS 115994-46-2), with molecular formula C54H85N11O16S and molecular weight 1175.59 g/mol. IUPAC: acetic acid;(4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(2S)-1-(8-aminooctylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Ebiratide acetate
Property Insights of Ebiratide acetate
The XLogP value of 0.3056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ebiratide acetate. The TPSA of 464.68 Ų indicates high polarity, suggesting Ebiratide acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ebiratide acetate has 14 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 Ebiratide acetate?
The CAS number of Ebiratide acetate is 115994-46-2.
What is the molecular formula of Ebiratide acetate?
The molecular formula of Ebiratide acetate is C54H85N11O16S.
What is the molecular weight of Ebiratide acetate?
The molecular weight of Ebiratide acetate is 1175.59 g/mol.
Where can I buy Ebiratide acetate?
You can request a quote for Ebiratide acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ebiratide acetate?
Yes, KEHONG BIO provides custom synthesis services for Ebiratide acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.