Snf 8702
TL;DR: Snf 8702 (CAS 129228-52-0) is a chemical compound with molecular formula C53H70N10O13 and molecular weight 1054.51 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)-2-[[(2S)-3-carboxy-2-[[(2S)-2-(methylamino)hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-(methylamino)hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Snf 8702, N-Methyl-28,31-nle-cholecystokinin (26-33), Cholecystokinin (26-33), N-methyl-nle(28,31)-, Cholecystokinin (26-33), N-methylnorleucine(28,31)-, (3S)-3-amino-4-[[(2S)-1-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-(methylamino)hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-(methylamino)hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
| Molecular Formula | C53H70N10O13 |
|---|---|
| Molecular Weight | 1054.51 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 361.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 31 |
| Exact Mass | 1054.5123 |
| Heavy Atoms | 76 |
| Complexity | 1960.0 |
Chemical Identifiers
| CAS Number | 129228-52-0 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N(C(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)O)N)C(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)NC)NC |
| InChIKey | PXEWXFWGIMIUKJ-TZLMNZOISA-N |
Product Overview
Snf 8702 (CAS 129228-52-0), with molecular formula C53H70N10O13 and molecular weight 1054.51 g/mol. IUPAC: (3S)-3-amino-4-[[(2S)-1-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-(methylamino)hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-(methylamino)hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Snf 8702
Property Insights of Snf 8702
The XLogP value of -1.8 indicates that Snf 8702 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 361.0 Ų indicates high polarity, suggesting Snf 8702 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Snf 8702 has 12 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 Snf 8702?
The CAS number of Snf 8702 is 129228-52-0.
What is the molecular formula of Snf 8702?
The molecular formula of Snf 8702 is C53H70N10O13.
What is the molecular weight of Snf 8702?
The molecular weight of Snf 8702 is 1054.51 g/mol.
Where can I buy Snf 8702?
You can request a quote for Snf 8702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Snf 8702?
Yes, KEHONG BIO provides custom synthesis services for Snf 8702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.