Allatostatin 1
TL;DR: Allatostatin 1 (CAS 123338-10-3) is a chemical compound with molecular formula C61H94N18O16 and molecular weight 1334.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]pentanediamide
Also Known As: Allatinhibin, Allatostatin 1, Allatostatin I, Allatostatin, Helicostatin
| Molecular Formula | C61H94N18O16 |
|---|---|
| Molecular Weight | 1334.71 g/mol |
| LogP | -6.3486 |
| Topological Polar Surface Area | 557.47 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 40 |
| Exact Mass | 1334.7095 |
| Heavy Atoms | 95 |
| Complexity | 3019.6167 |
Chemical Identifiers
| CAS Number | 123338-10-3 |
|---|---|
| SMILES | C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N)N |
Product Overview
Allatostatin 1 (CAS 123338-10-3), with molecular formula C61H94N18O16 and molecular weight 1334.71 g/mol. IUPAC: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]pentanediamide.
Chemical Property Profile of Allatostatin 1
Property Insights of Allatostatin 1
The XLogP value of -6.3486 indicates that Allatostatin 1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 557.47 Ų indicates high polarity, suggesting Allatostatin 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Allatostatin 1 has 18 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Allatostatin 1?
The CAS number of Allatostatin 1 is 123338-10-3.
What is the molecular formula of Allatostatin 1?
The molecular formula of Allatostatin 1 is C61H94N18O16.
What is the molecular weight of Allatostatin 1?
The molecular weight of Allatostatin 1 is 1334.71 g/mol.
Where can I buy Allatostatin 1?
You can request a quote for Allatostatin 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allatostatin 1?
Yes, KEHONG BIO provides custom synthesis services for Allatostatin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.