Endothelin (16-21)
TL;DR: Endothelin (16-21) (CAS 121377-67-1) is a chemical compound with molecular formula C39H57N9O9 and molecular weight 795.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Endothelin (16-21), His-leu-asp-ile-ile-trp, Endothelin(16-21), H-HLDIIW-OH, Endothelin 1(16-21)
| Molecular Formula | C39H57N9O9 |
|---|---|
| Molecular Weight | 795.43 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 291.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 23 |
| Exact Mass | 795.4279 |
| Heavy Atoms | 57 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 121377-67-1 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)N |
| InChIKey | NTSBFTNRWQVBCA-IVGDYKFASA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Endothelin (16-21) (CAS 121377-67-1), with molecular formula C39H57N9O9 and molecular weight 795.43 g/mol. IUPAC: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Endothelin (16-21)
Property Insights of Endothelin (16-21)
The XLogP value of -1.0 indicates that Endothelin (16-21) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 291.0 Ų indicates high polarity, suggesting Endothelin (16-21) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Endothelin (16-21) has 10 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Endothelin (16-21)?
The CAS number of Endothelin (16-21) is 121377-67-1.
What is the molecular formula of Endothelin (16-21)?
The molecular formula of Endothelin (16-21) is C39H57N9O9.
What is the molecular weight of Endothelin (16-21)?
The molecular weight of Endothelin (16-21) is 795.43 g/mol.
Where can I buy Endothelin (16-21)?
You can request a quote for Endothelin (16-21) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Endothelin (16-21)?
Yes, KEHONG BIO provides custom synthesis services for Endothelin (16-21) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.