N-Octanoyl-asparaginyl-tyrosyl-threoninamide
TL;DR: N-Octanoyl-asparaginyl-tyrosyl-threoninamide (CAS 117978-19-5) is a chemical compound with molecular formula C25H39N5O7 and molecular weight 521.285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-(octanoylamino)butanediamide
Also Known As: N-Octanoyl-asn-tyr-thr-NH2, N-Octanoyl-asparaginyl-tyrosyl-threoninamide, N2-(1-Oxooctyl)-L-asparaginyl-L-tyrosyl-L-threoninamide, L-Threoninamide, N2-(1-oxooctyl)-L-asparaginyl-L-tyrosyl-, N~2~-Octanoyl-L-asparaginyl-L-tyrosyl-L-threoninamide
Technical Specifications
| Molecular Formula | C25H39N5O7 |
| Molecular Weight | 521.285 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 214.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 521.285 Da |
| Heavy Atoms | 37 |
| Complexity | 771.0 |
| SMILES | CCCCCCCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N |
| InChIKey | CHARWFGRYUJKEC-KRDZULTMSA-N |
Chemical Property Profile of N-Octanoyl-asparaginyl-tyrosyl-threoninamide
Property Insights of N-Octanoyl-asparaginyl-tyrosyl-threoninamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Octanoyl-asparaginyl-tyrosyl-threoninamide. The TPSA of 214.0 Ų indicates high polarity, suggesting N-Octanoyl-asparaginyl-tyrosyl-threoninamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Octanoyl-asparaginyl-tyrosyl-threoninamide has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-Octanoyl-asparaginyl-tyrosyl-threoninamide?
The CAS number of N-Octanoyl-asparaginyl-tyrosyl-threoninamide is 117978-19-5.
What is the molecular formula of N-Octanoyl-asparaginyl-tyrosyl-threoninamide?
The molecular formula of N-Octanoyl-asparaginyl-tyrosyl-threoninamide is C25H39N5O7.
What is the molecular weight of N-Octanoyl-asparaginyl-tyrosyl-threoninamide?
The molecular weight of N-Octanoyl-asparaginyl-tyrosyl-threoninamide is 521.285 g/mol.
Where can I buy N-Octanoyl-asparaginyl-tyrosyl-threoninamide?
You can request a quote for N-Octanoyl-asparaginyl-tyrosyl-threoninamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Octanoyl-asparaginyl-tyrosyl-threoninamide?
Yes, CoreyChem provides custom synthesis services for N-Octanoyl-asparaginyl-tyrosyl-threoninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.