A 57696
TL;DR: A 57696 (CAS 125598-87-0) is a chemical compound with molecular formula C35H47N7O8 and molecular weight 693.34863 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[4-(hydrazinecarbonyl)phenyl]-3-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Also Known As: Boc-trp-leu-asp-phe-nhnh2, A 57696, tert-Butyloxycarbonyl-trp-leu-asp-phe-nhnh2, A-57696, t-Butyloxycarbonyl-tryptophyl-leucyl-aspartyl-phenylalanine-hydrazide
Technical Specifications
| Molecular Formula | C35H47N7O8 |
| Molecular Weight | 693.34863 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 234.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 693.34863 Da |
| Heavy Atoms | 50 |
| Complexity | 1170.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)C(=O)NN)C=O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C |
| InChIKey | XUIILZAJJORFPN-JSRHHAARSA-N |
Chemical Property Profile of A 57696
Property Insights of A 57696
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A 57696. The TPSA of 234.0 Ų indicates high polarity, suggesting A 57696 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A 57696 has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of A 57696?
The CAS number of A 57696 is 125598-87-0.
What is the molecular formula of A 57696?
The molecular formula of A 57696 is C35H47N7O8.
What is the molecular weight of A 57696?
The molecular weight of A 57696 is 693.34863 g/mol.
Where can I buy A 57696?
You can request a quote for A 57696 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for A 57696?
Yes, CoreyChem provides custom synthesis services for A 57696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.