J1.593.621E
TL;DR: J1.593.621E (CAS 119089-21-3) is a chemical compound with molecular formula C28H36N8O4 and molecular weight 548.28595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Also Known As: J1.593.621E, (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-5-guanidino-pentanamide, (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide, (2S)-5-CARBAMIMIDAMIDO-N-[(1S)-1-CARBAMOYL-2-(1H-INDOL-3-YL)ETHYL]-2-[(2S)-2-ACETAMIDO-3-PHENYLPROPANAMIDO]PENTANAMIDE, C28H36N8O4
Technical Specifications
| Molecular Formula | C28H36N8O4 |
| Molecular Weight | 548.28595 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 548.28595 Da |
| Heavy Atoms | 40 |
| Complexity | 903.0 |
| SMILES | CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N |
| InChIKey | LUCUFURZWPZEOH-HJOGWXRNSA-N |
Chemical Property Profile of J1.593.621E
Property Insights of J1.593.621E
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.593.621E. The TPSA of 211.0 Ų indicates high polarity, suggesting J1.593.621E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.593.621E has 7 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of J1.593.621E?
The CAS number of J1.593.621E is 119089-21-3.
What is the molecular formula of J1.593.621E?
The molecular formula of J1.593.621E is C28H36N8O4.
What is the molecular weight of J1.593.621E?
The molecular weight of J1.593.621E is 548.28595 g/mol.
Where can I buy J1.593.621E?
You can request a quote for J1.593.621E directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for J1.593.621E?
Yes, CoreyChem provides custom synthesis services for J1.593.621E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.