Statine deriv.
TL;DR: Statine deriv. (CAS 161389-20-4) is a chemical compound with molecular formula C46H56N6O6 and molecular weight 788.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-4-[2-(3H-indol-3-yl)ethylamino]-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Statine deriv., Val-Val-Sta, 5PhBuCOOH deriv., (2R,3R,4S)-N-((3-Indolyl)ethylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide, (2R,3R,4S)-N-[(3-Indolyl)ethylamino]-4-[[N-[(benzyloxy)carbonyl]valyl]amino]-3-hydroxy-5- phenylpentanoyl]valine benzylamide, benzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-4-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-3-[2-(3H-indol-3-yl)ethylamino]-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamate
| Molecular Formula | C46H56N6O6 |
|---|---|
| Molecular Weight | 788.43 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 788.42615 |
| Heavy Atoms | 58 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 161389-20-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3)O)NCCC4C=NC5=CC=CC=C45 |
| InChIKey | ZVHFXOSYXGCZQI-JOXOUDDWSA-N |
Product Overview
Statine deriv. (CAS 161389-20-4), with molecular formula C46H56N6O6 and molecular weight 788.43 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-4-[2-(3H-indol-3-yl)ethylamino]-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of Statine deriv.
Property Insights of Statine deriv.
The XLogP value of 5.9 indicates that Statine deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Statine deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Statine deriv. has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Statine deriv.?
The CAS number of Statine deriv. is 161389-20-4.
What is the molecular formula of Statine deriv.?
The molecular formula of Statine deriv. is C46H56N6O6.
What is the molecular weight of Statine deriv.?
The molecular weight of Statine deriv. is 788.43 g/mol.
Where can I buy Statine deriv.?
You can request a quote for Statine deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Statine deriv.?
Yes, KEHONG BIO provides custom synthesis services for Statine deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.