tert-Butyloxycarbonylcholecystokinin-8
TL;DR: tert-Butyloxycarbonylcholecystokinin-8 (CAS 27220-86-6) is a chemical compound with molecular formula C54H70N10O18S3 and molecular weight 1242.40 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)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Also Known As: Boc-cck-8, t-Butyloxycarbonylsincalide, tert-Butyloxycarbonylcholecystokinin-8, tert-Butoxycarbonylcholecystokinin-8, Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-(N-((1,1-dimethylethoxy)carbonyl)-L-aspartic acid)-5-L-methionine-
| Molecular Formula | C54H70N10O18S3 |
|---|---|
| Molecular Weight | 1242.40 g/mol |
| LogP | 0.2366 |
| Topological Polar Surface Area | 439.11 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 34 |
| Exact Mass | 1242.4032 |
| Heavy Atoms | 85 |
| Complexity | 3124.8071 |
Chemical Identifiers
| CAS Number | 27220-86-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N |
Product Overview
tert-Butyloxycarbonylcholecystokinin-8 (CAS 27220-86-6), with molecular formula C54H70N10O18S3 and molecular weight 1242.40 g/mol. IUPAC: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of tert-Butyloxycarbonylcholecystokinin-8
Property Insights of tert-Butyloxycarbonylcholecystokinin-8
The XLogP value of 0.2366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyloxycarbonylcholecystokinin-8. The TPSA of 439.11 Ų indicates high polarity, suggesting tert-Butyloxycarbonylcholecystokinin-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-Butyloxycarbonylcholecystokinin-8 has 13 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-Butyloxycarbonylcholecystokinin-8?
The CAS number of tert-Butyloxycarbonylcholecystokinin-8 is 27220-86-6.
What is the molecular formula of tert-Butyloxycarbonylcholecystokinin-8?
The molecular formula of tert-Butyloxycarbonylcholecystokinin-8 is C54H70N10O18S3.
What is the molecular weight of tert-Butyloxycarbonylcholecystokinin-8?
The molecular weight of tert-Butyloxycarbonylcholecystokinin-8 is 1242.40 g/mol.
Where can I buy tert-Butyloxycarbonylcholecystokinin-8?
You can request a quote for tert-Butyloxycarbonylcholecystokinin-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyloxycarbonylcholecystokinin-8?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyloxycarbonylcholecystokinin-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.