Statine deriv.
TL;DR: Statine deriv. (CAS 154030-79-2) is a chemical compound with molecular formula C47H59N7O7 and molecular weight 833.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3R,4R)-5-[[(2S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-2-[3-(4-hydroxyphenyl)propanoylamino]-3,3-dimethylbutanamide
Also Known As: Statine deriv., Statine deriv. 51, Tle-Val-Sta, 5PhBuCOOH deriv., Tle-Val-Sta, 5PhBuCOOH deriv.
| Molecular Formula | C47H59N7O7 |
|---|---|
| Molecular Weight | 833.45 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Exact Mass | 833.4476 |
| Heavy Atoms | 61 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 154030-79-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@@H]([C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)C)NC(=O)CCC4=CC=C(C=C4)O)O)NCC5=CC=C(C=C5)OC |
| InChIKey | FAIIVIDGNVSFLA-HPPJSWTHSA-N |
Product Overview
Statine deriv. (CAS 154030-79-2), with molecular formula C47H59N7O7 and molecular weight 833.45 g/mol. IUPAC: (2S)-N-[(2S,3R,4R)-5-[[(2S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-2-[3-(4-hydroxyphenyl)propanoylamino]-3,3-dimethylbutanamide.
Chemical Property Profile of Statine deriv.
Property Insights of Statine deriv.
The XLogP value of 5.8 indicates that Statine deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.0 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 8 hydrogen bond donor(s) and 9 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 154030-79-2.
What is the molecular formula of Statine deriv.?
The molecular formula of Statine deriv. is C47H59N7O7.
What is the molecular weight of Statine deriv.?
The molecular weight of Statine deriv. is 833.45 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.