Desulfated sincalide
TL;DR: Desulfated sincalide (CAS 25679-24-7) is a chemical compound with molecular formula C49H62N10O13S2 and molecular weight 1062.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S)-3-amino-6-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-hydrazinyl-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-7-(4-hydroxyphenyl)-4,5-dioxoheptanoic acid
Also Known As: Desulfated sincalide, Desulfated cholecystokinin-8, CCK-8 (desulfated), des-CCK-8, Des(SO3)cck-8
| Molecular Formula | C49H62N10O13S2 |
|---|---|
| Molecular Weight | 1062.39 g/mol |
| LogP | -0.8054 |
| Topological Polar Surface Area | 383.43 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 32 |
| Exact Mass | 1062.3939 |
| Heavy Atoms | 74 |
| Complexity | 2603.0242 |
Chemical Identifiers
| CAS Number | 25679-24-7 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)C(=O)[C@H](CC(=O)O)N)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NN |
Product Overview
Desulfated sincalide (CAS 25679-24-7), with molecular formula C49H62N10O13S2 and molecular weight 1062.39 g/mol. IUPAC: (3S,6S)-3-amino-6-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-hydrazinyl-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-7-(4-hydroxyphenyl)-4,5-dioxoheptanoic acid.
Chemical Property Profile of Desulfated sincalide
Property Insights of Desulfated sincalide
The XLogP value of -0.8054 indicates that Desulfated sincalide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 383.43 Ų indicates high polarity, suggesting Desulfated sincalide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desulfated sincalide has 13 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Desulfated sincalide?
The CAS number of Desulfated sincalide is 25679-24-7.
What is the molecular formula of Desulfated sincalide?
The molecular formula of Desulfated sincalide is C49H62N10O13S2.
What is the molecular weight of Desulfated sincalide?
The molecular weight of Desulfated sincalide is 1062.39 g/mol.
Where can I buy Desulfated sincalide?
You can request a quote for Desulfated sincalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desulfated sincalide?
Yes, KEHONG BIO provides custom synthesis services for Desulfated sincalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.