Hydroxyethylene deriv. 3
TL;DR: Hydroxyethylene deriv. 3 (CAS 129252-79-5) is a chemical compound with molecular formula C40H54N4O5 and molecular weight 670.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-6-phenylhexanamide
Also Known As: Hydroxyethylene deriv. 3, tBu-CH2C(O)-CH2Ph-Leu-Phe-NH2, L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-, 6-Phenyl-5-neopentylamido-4-hydroxy-2-benzyl-1-(leucinylphenylalaninylamino)-hexanone, (2R,4S,5S)-2-benzyl-N-[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]-5-(3,3-dimethylbutanamido)-4-hydroxy-6-phenylhexanamide
| Molecular Formula | C40H54N4O5 |
|---|---|
| Molecular Weight | 670.41 g/mol |
| LogP | 4.5037 |
| Topological Polar Surface Area | 150.62 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 670.4094 |
| Heavy Atoms | 49 |
| Complexity | 1474.7719 |
Chemical Identifiers
| CAS Number | 129252-79-5 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)CC(C)(C)C)O |
Product Overview
Hydroxyethylene deriv. 3 (CAS 129252-79-5), with molecular formula C40H54N4O5 and molecular weight 670.41 g/mol. IUPAC: (2R,4S,5S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-6-phenylhexanamide.
Chemical Property Profile of Hydroxyethylene deriv. 3
Property Insights of Hydroxyethylene deriv. 3
The XLogP value of 4.5037 indicates that Hydroxyethylene deriv. 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.62 Ų indicates high polarity, suggesting Hydroxyethylene deriv. 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydroxyethylene deriv. 3 has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydroxyethylene deriv. 3?
The CAS number of Hydroxyethylene deriv. 3 is 129252-79-5.
What is the molecular formula of Hydroxyethylene deriv. 3?
The molecular formula of Hydroxyethylene deriv. 3 is C40H54N4O5.
What is the molecular weight of Hydroxyethylene deriv. 3?
The molecular weight of Hydroxyethylene deriv. 3 is 670.41 g/mol.
Where can I buy Hydroxyethylene deriv. 3?
You can request a quote for Hydroxyethylene deriv. 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyethylene deriv. 3?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyethylene deriv. 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.