Cionin
TL;DR: Cionin (CAS 126985-56-6) is a chemical compound with molecular formula C53H63N11O19S3 and molecular weight 1253.3464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Also Known As: Cionin, Asn-tyr(SO3)-tyr(SO3)-gly-trp-met-asp-phe-NH2, 4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid, H-Asn-Tyr(SO3H)-Tyr(SO3H)-Gly-Trp-Met-Asp-Phe-NH2, 1-De(5-oxo-L-proline)-2-de-L-glutamine-3-L-asparagine-5-(O-sulfo-L-tyrosine)caerulein
Technical Specifications
| Molecular Formula | C53H63N11O19S3 |
| Molecular Weight | 1253.3464 g/mol |
| XLogP | -3.3 |
| Topological Polar Surface Area (TPSA) | 538.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 34 |
| Exact Mass | 1253.3464 Da |
| Heavy Atoms | 86 |
| Complexity | 2570.0 |
| SMILES | CSCC[C@@H](C(=O)NC(CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)N)N |
| InChIKey | SMWALVPHKGXESK-BMIPBODUSA-N |
Chemical Property Profile of Cionin
Property Insights of Cionin
The XLogP value of -3.3 indicates that Cionin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 538.0 Ų indicates high polarity, suggesting Cionin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cionin has 14 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cionin?
The CAS number of Cionin is 126985-56-6.
What is the molecular formula of Cionin?
The molecular formula of Cionin is C53H63N11O19S3.
What is the molecular weight of Cionin?
The molecular weight of Cionin is 1253.3464 g/mol.
Where can I buy Cionin?
You can request a quote for Cionin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cionin?
Yes, CoreyChem provides custom synthesis services for Cionin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.