Desglugastrin
TL;DR: Desglugastrin (CAS 51987-65-6) is a chemical compound with molecular formula C49H61N9O13 and molecular weight 983.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Desglugastrin, Desglugastrina, Desglugastrine, Desglugastrinum, Diagastrin
| Molecular Formula | C49H61N9O13 |
|---|---|
| Molecular Weight | 983.44 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 357.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 28 |
| Exact Mass | 983.4389 |
| Heavy Atoms | 71 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 51987-65-6 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)CCCC(=O)O |
| InChIKey | BRUVESZIOCJLDB-GJPUTSFASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desglugastrin (CAS 51987-65-6), with molecular formula C49H61N9O13 and molecular weight 983.44 g/mol. IUPAC: 5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Desglugastrin
Property Insights of Desglugastrin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desglugastrin. The TPSA of 357.0 Ų indicates high polarity, suggesting Desglugastrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desglugastrin has 12 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Desglugastrin?
The CAS number of Desglugastrin is 51987-65-6.
What is the molecular formula of Desglugastrin?
The molecular formula of Desglugastrin is C49H61N9O13.
What is the molecular weight of Desglugastrin?
The molecular weight of Desglugastrin is 983.44 g/mol.
Where can I buy Desglugastrin?
You can request a quote for Desglugastrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desglugastrin?
Yes, KEHONG BIO provides custom synthesis services for Desglugastrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.