cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe)
TL;DR: cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe) (CAS 102129-69-1) is a chemical compound with molecular formula C44H54N8O8 and molecular weight 822.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-6-[(1R)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Also Known As: cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe), CYCLO(D-TRP-LYS-THR-PHE-PRO-TYR), Cyclo(L-Pro-L-Tyr-D-Trp-L-Lys-L-Thr-L-Phe-), (3S,6R,9S,12S,15S,20aS)-9-(4-aminobutyl)-15-benzyl-12-[(1R)-1-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone, (3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-6-[(1R)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
| Molecular Formula | C44H54N8O8 |
|---|---|
| Molecular Weight | 822.41 g/mol |
| LogP | 0.8398 |
| Topological Polar Surface Area | 248.08 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 822.40643 |
| Heavy Atoms | 60 |
| Complexity | 2142.2263 |
Chemical Identifiers
| CAS Number | 102129-69-1 |
|---|---|
| SMILES | C[C@H]([C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O)CC6=CC=CC=C6)O |
Product Overview
cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe) (CAS 102129-69-1), with molecular formula C44H54N8O8 and molecular weight 822.41 g/mol. IUPAC: (3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-6-[(1R)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone.
Chemical Property Profile of cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe)
Property Insights of cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe)
The XLogP value of 0.8398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe). The TPSA of 248.08 Ų indicates high polarity, suggesting cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe) has 9 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(Pro-Tyr-D-Trp-Lys-Thr-Phe)?
The CAS number of cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe) is 102129-69-1.
What is the molecular formula of cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe)?
The molecular formula of cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe) is C44H54N8O8.
What is the molecular weight of cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe)?
The molecular weight of cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe) is 822.41 g/mol.
Where can I buy cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe)?
You can request a quote for cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe)?
Yes, KEHONG BIO provides custom synthesis services for cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.