Sincalide
TL;DR: Sincalide (CAS 70706-98-8) is a chemical compound with molecular formula C49H62N10O16S3 and molecular weight 1142.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-amino-4-[[(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-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Sincalide, Kinevac, Sincalida, Sincalidum, Syncalide
| Molecular Formula | C49H62N10O16S3 |
|---|---|
| Molecular Weight | 1142.35 g/mol |
| LogP | -1.3294 |
| Topological Polar Surface Area | 426.8 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 33 |
| Exact Mass | 1142.3507 |
| Heavy Atoms | 78 |
| Complexity | 2876.1677 |
Chemical Identifiers
| CAS Number | 70706-98-8 |
|---|---|
| SMILES | CSCC[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)NC(=O)[C@H](CC(=O)O)N |
Product Overview
Sincalide (CAS 70706-98-8), with molecular formula C49H62N10O16S3 and molecular weight 1142.35 g/mol. IUPAC: (3S)-3-amino-4-[[(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-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Sincalide
Property Insights of Sincalide
The XLogP value of -1.3294 indicates that Sincalide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.8 Ų indicates high polarity, suggesting Sincalide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 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 Sincalide?
The CAS number of Sincalide is 70706-98-8.
What is the molecular formula of Sincalide?
The molecular formula of Sincalide is C49H62N10O16S3.
What is the molecular weight of Sincalide?
The molecular weight of Sincalide is 1142.35 g/mol.
Where can I buy Sincalide?
You can request a quote for Sincalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sincalide?
Yes, KEHONG BIO provides custom synthesis services for Sincalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.