J1.118.542H
TL;DR: J1.118.542H (CAS 217171-01-2) is a chemical compound with molecular formula C38H53N3O3 and molecular weight 599.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide
Also Known As: J1.118.542H, (2S)-N-[(2S)-1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide, L-Tyrosinamide, N-((4-(1,1-dimethylethyl)phenyl)methyl)-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-(phenylmethyl)-, N-[[4-(1,1-Dimethylethyl)phenyl]methyl-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-phenylmethyl)-L-tyrosinamide, N-(4-tert-Butylbenzyl)-N-methyl-L-Leu-O-benzyl-L-Tyr-tert-butyl NH2
| Molecular Formula | C38H53N3O3 |
|---|---|
| Molecular Weight | 599.41 g/mol |
| LogP | 7.0518 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 599.4087 |
| Heavy Atoms | 44 |
| Complexity | 1320.9805 |
Chemical Identifiers
| CAS Number | 217171-01-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(C)(C)C)N(C)CC3=CC=C(C=C3)C(C)(C)C |
Product Overview
J1.118.542H (CAS 217171-01-2), with molecular formula C38H53N3O3 and molecular weight 599.41 g/mol. IUPAC: (2S)-N-[(2S)-1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide.
Chemical Property Profile of J1.118.542H
Property Insights of J1.118.542H
The XLogP value of 7.0518 indicates that J1.118.542H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.118.542H. Following Lipinski's Rule of Five, J1.118.542H has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.118.542H?
The CAS number of J1.118.542H is 217171-01-2.
What is the molecular formula of J1.118.542H?
The molecular formula of J1.118.542H is C38H53N3O3.
What is the molecular weight of J1.118.542H?
The molecular weight of J1.118.542H is 599.41 g/mol.
Where can I buy J1.118.542H?
You can request a quote for J1.118.542H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.118.542H?
Yes, KEHONG BIO provides custom synthesis services for J1.118.542H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.