cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-
TL;DR: cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)- (CAS 98640-66-5) is a chemical compound with molecular formula C52H69N9O15S and molecular weight 1091.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
Also Known As: BDNL, Boc-28,31-nle-cck-7, Boc-tyr(SO3H)nle-gly-trp-nle-asp-phenh2, t-Boc(nle(28,31))-cck (27-33), Boc-Tyr(SO3H)-Nle-Gly-Trp-Nle-Asp-Phe-NH2
| Molecular Formula | C52H69N9O15S |
|---|---|
| Molecular Weight | 1091.46 g/mol |
| LogP | 2.1513 |
| Topological Polar Surface Area | 372.71 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 30 |
| Exact Mass | 1091.4634 |
| Heavy Atoms | 77 |
| Complexity | 2802.358 |
Chemical Identifiers
| CAS Number | 98640-66-5 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)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)OC(C)(C)C |
Product Overview
cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)- (CAS 98640-66-5), with molecular formula C52H69N9O15S and molecular weight 1091.46 g/mol. IUPAC: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-
Property Insights of cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-
The XLogP value of 2.1513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-. The TPSA of 372.71 Ų indicates high polarity, suggesting cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)- has 11 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 cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-?
The CAS number of cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)- is 98640-66-5.
What is the molecular formula of cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-?
The molecular formula of cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)- is C52H69N9O15S.
What is the molecular weight of cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-?
The molecular weight of cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)- is 1091.46 g/mol.
Where can I buy cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-?
You can request a quote for cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-?
Yes, KEHONG BIO provides custom synthesis services for cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.