TL;DR: Noa-Asn-Apns-Pro-NH-tBu (CAS 141171-77-9) is a chemical compound with molecular formula C35H43N5O7 and molecular weight 645.3162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide
Also Known As: Noa-Asn-Apns-Pro-NH-tBu, KNI 144, (2S)-N-(3-((2S)-2-(N-(tert-Butyl)carbamoyl)pyrrolidinyl)(1S,2S)-2-hydroxy-3-oxo-1-benzylpropyl)-3-carbamoyl-2-(2-naphthyloxyacetylamino)propanamide, N^1-(3-(2-(((1,1-Dimethylethyl)amino)carbonyl)-1-pyrrolidinyl)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-2-(((1-naphthalenyloxy)acetyl)amino)butanediamide, (2S-(1(1R(R).2R).2R))-, (1-Naphthyloxyacetyl)-L-Asn-[(2S,3S)-2-hydroxy-3-amino*-4-phenylbutyryl]-L-Pro-tert-butyl-NH2
| Molecular Formula | C35H43N5O7 |
| Molecular Weight | 645.3162 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 645.3162 Da |
| Heavy Atoms | 47 |
| Complexity | 1100.0 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)COC3=CC=CC4=CC=CC=C43)O |
| InChIKey | HTMNHRZEFBOZIL-QEETYVBOSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Noa-Asn-Apns-Pro-NH-tBu. The TPSA of 180.0 Ų indicates high polarity, suggesting Noa-Asn-Apns-Pro-NH-tBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Noa-Asn-Apns-Pro-NH-tBu has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Noa-Asn-Apns-Pro-NH-tBu is 141171-77-9.
The molecular formula of Noa-Asn-Apns-Pro-NH-tBu is C35H43N5O7.
The molecular weight of Noa-Asn-Apns-Pro-NH-tBu is 645.3162 g/mol.
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