Emd 51921
TL;DR: Emd 51921 (CAS 133928-36-6) is a chemical compound with molecular formula C39H60N8O7 and molecular weight 756.4749 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[1-[[2-[[5-[[1-[(6-amino-2-methylpyrimidin-4-yl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(2,6-ditritiophenyl)-1-oxopropan-2-yl]carbamate
Also Known As: Emd 51921, Emd 51 921, tert-butyl N-[1-[[2-[[5-[[1-[(6-amino-2-methylpyrimidin-4-yl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(2,6-ditritiophenyl)-1-oxopropan-2-yl]carbamate, L-threo-Pentonamide, N-(1-((((4-amino-2-methyl-5-pyrimidinyl)methyl)amino)carbonyl)-2-methylbutyl)-5-cyclohexyl-2,4,5-trideoxy-4-((N-(N-((1,1-dimethylethoxy)carbonyl)-L-phenyl-2,6-t2-alanyl)glycyl)amino)-, (S-(R*,R*))-
Technical Specifications
| Molecular Formula | C39H60N8O7 |
| Molecular Weight | 756.4749 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 227.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 756.4749 Da |
| Heavy Atoms | 54 |
| Complexity | 1200.0 |
| SMILES | [3H]C1=C(C(=CC=C1)[3H])CC(C(=O)NCC(=O)NC(CC2CCCCC2)C(CC(=O)NC(C(C)CC)C(=O)NCC3=CC(=NC(=N3)C)N)O)NC(=O)OC(C)(C)C |
| InChIKey | JEBBUBZRWRTEIC-IVSQDIHRSA-N |
Chemical Property Profile of Emd 51921
Property Insights of Emd 51921
The XLogP value of 4.3 indicates that Emd 51921 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 227.0 Ų indicates high polarity, suggesting Emd 51921 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emd 51921 has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Emd 51921?
The CAS number of Emd 51921 is 133928-36-6.
What is the molecular formula of Emd 51921?
The molecular formula of Emd 51921 is C39H60N8O7.
What is the molecular weight of Emd 51921?
The molecular weight of Emd 51921 is 756.4749 g/mol.
Where can I buy Emd 51921?
You can request a quote for Emd 51921 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Emd 51921?
Yes, CoreyChem provides custom synthesis services for Emd 51921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.