Cyclo(trp-lys-thr-phe-pro-phe)acetate
TL;DR: Cyclo(trp-lys-thr-phe-pro-phe)acetate (CAS 77236-35-2) is a chemical compound with molecular formula C44H54N8O7 and molecular weight 806.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]-N-[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,5-dihydropyrrole-2-carboxamide
Also Known As: Cyclo(trp-lys-thr-phe-pro-phe)acetate, L 363568, L-363,568, (2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]-N-[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,5-dihydropyrrole-2-carboxamide, Cyclo(L-lysyl-L-threonyl-L-phenylalanyl-L-prolyl-L-phenylalanyl-D-tryptophyl)
| Molecular Formula | C44H54N8O7 |
|---|---|
| Molecular Weight | 806.41 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Exact Mass | 806.41156 |
| Heavy Atoms | 59 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 77236-35-2 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CC=C[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C=O)NC(=O)[C@H](CCCCN)N)O |
| InChIKey | WNFMQQRLCXKKFH-FRAGMDTNSA-N |
Product Overview
Cyclo(trp-lys-thr-phe-pro-phe)acetate (CAS 77236-35-2), with molecular formula C44H54N8O7 and molecular weight 806.41 g/mol. IUPAC: (2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]-N-[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,5-dihydropyrrole-2-carboxamide.
Chemical Property Profile of Cyclo(trp-lys-thr-phe-pro-phe)acetate
Property Insights of Cyclo(trp-lys-thr-phe-pro-phe)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclo(trp-lys-thr-phe-pro-phe)acetate. The TPSA of 242.0 Ų indicates high polarity, suggesting Cyclo(trp-lys-thr-phe-pro-phe)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclo(trp-lys-thr-phe-pro-phe)acetate has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclo(trp-lys-thr-phe-pro-phe)acetate?
The CAS number of Cyclo(trp-lys-thr-phe-pro-phe)acetate is 77236-35-2.
What is the molecular formula of Cyclo(trp-lys-thr-phe-pro-phe)acetate?
The molecular formula of Cyclo(trp-lys-thr-phe-pro-phe)acetate is C44H54N8O7.
What is the molecular weight of Cyclo(trp-lys-thr-phe-pro-phe)acetate?
The molecular weight of Cyclo(trp-lys-thr-phe-pro-phe)acetate is 806.41 g/mol.
Where can I buy Cyclo(trp-lys-thr-phe-pro-phe)acetate?
You can request a quote for Cyclo(trp-lys-thr-phe-pro-phe)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclo(trp-lys-thr-phe-pro-phe)acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclo(trp-lys-thr-phe-pro-phe)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.