Cerulein 7
TL;DR: Cerulein 7 (CAS 20994-86-9) is a chemical compound with molecular formula C44H55N9O14S2 and molecular weight 997.33 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-[[(2S)-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]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Also Known As: Cerulein 7, Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-aspartic acid-, O-Sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide, RefChem:124608
| Molecular Formula | C44H55N9O14S2 |
|---|---|
| Molecular Weight | 997.33 g/mol |
| LogP | -1.6612 |
| Topological Polar Surface Area | 380.63 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 27 |
| Exact Mass | 997.331 |
| Heavy Atoms | 69 |
| Complexity | 2561.607 |
Chemical Identifiers
| CAS Number | 20994-86-9 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)N)O |
Product Overview
Cerulein 7 (CAS 20994-86-9), with molecular formula C44H55N9O14S2 and molecular weight 997.33 g/mol. IUPAC: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-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]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Cerulein 7
Property Insights of Cerulein 7
The XLogP value of -1.6612 indicates that Cerulein 7 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 380.63 Ų indicates high polarity, suggesting Cerulein 7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cerulein 7 has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cerulein 7?
The CAS number of Cerulein 7 is 20994-86-9.
What is the molecular formula of Cerulein 7?
The molecular formula of Cerulein 7 is C44H55N9O14S2.
What is the molecular weight of Cerulein 7?
The molecular weight of Cerulein 7 is 997.33 g/mol.
Where can I buy Cerulein 7?
You can request a quote for Cerulein 7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cerulein 7?
Yes, KEHONG BIO provides custom synthesis services for Cerulein 7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.