Caerulein(4-10), nle(8)-
TL;DR: Caerulein(4-10), nle(8)- (CAS 17650-98-5) is a chemical compound with molecular formula C45H57N9O14S and molecular weight 979.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
Also Known As: Tymtran, 8-Nle-cer(4-10), Caerulein(4-10), nle(8)-, Nle(8)-ceruletide(4-10), 8-Norleucine-ceruletide(4-10)
| Molecular Formula | C45H57N9O14S |
|---|---|
| Molecular Weight | 979.37 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 27 |
| Exact Mass | 979.3746 |
| Heavy Atoms | 69 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 17650-98-5 |
|---|---|
| SMILES | CCCC[C@H](C(=O)N[C@@H](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]([C@@H](C)O)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)N |
| InChIKey | GZCDGEPFXQGWOW-RMNOTBJOSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Caerulein(4-10), nle(8)- (CAS 17650-98-5), with molecular formula C45H57N9O14S and molecular weight 979.37 g/mol. IUPAC: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Caerulein(4-10), nle(8)-
Property Insights of Caerulein(4-10), nle(8)-
The XLogP value of -2.0 indicates that Caerulein(4-10), nle(8)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Caerulein(4-10), nle(8)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caerulein(4-10), nle(8)- has 12 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caerulein(4-10), nle(8)-?
The CAS number of Caerulein(4-10), nle(8)- is 17650-98-5.
What is the molecular formula of Caerulein(4-10), nle(8)-?
The molecular formula of Caerulein(4-10), nle(8)- is C45H57N9O14S.
What is the molecular weight of Caerulein(4-10), nle(8)-?
The molecular weight of Caerulein(4-10), nle(8)- is 979.37 g/mol.
Where can I buy Caerulein(4-10), nle(8)-?
You can request a quote for Caerulein(4-10), nle(8)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caerulein(4-10), nle(8)-?
Yes, KEHONG BIO provides custom synthesis services for Caerulein(4-10), nle(8)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.