Cbz-Val-NHPhCH2-Statine deriv.
TL;DR: Cbz-Val-NHPhCH2-Statine deriv. (CAS 169305-70-8) is a chemical compound with molecular formula C42H55N7O8S2 and molecular weight 849.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]butanamide
Also Known As: Cbz-Val-NHPhCH2-Statine deriv., L-Lyxonamide, 2,4,5-trideoxy-4-((3,3-dimethyl-1-oxo-2-(((1,3,4-thiadiazol-2-ylthio)acetyl)amino)butyl)amino)-N-(1-((((2-hydroxy-4-methoxyphenyl)methyl)amino)carbonyl)-2-methylpropyl)-2-(((4-methoxyphenyl)methyl)amino)-5-phenyl-, (1(S),4(S))-, (2R,3S,4S)-N-(4-(3-hydroxy-2-(4-methoxybenzylamino)((N-((5-methyl-1,3,4,-thiadiazol-2-thioacetyl)tert.leucinyl)amino)-5-phenylpentanoyl)valine 2-Hydroxy-4-methoxybenzylamide, (2R,3R,4S)-4-[(2S)-3,3-DIMETHYL-2-[2-(1,3,4-THIADIAZOL-2-YLSULFANYL)ACETAMIDO]BUTANAMIDO]-3-HYDROXY-N-[(1S)-1-{[(2-HYDROXY-4-METHOXYPHENYL)METHYL]CARBAMOYL}-2-METHYLPROPYL]-2-{[(4-METHOXYPHENYL)METHYL]AMINO}-5-PHENYLPENTANAMIDE, (2R,3R,4S)-4-[(2S)-3,3-Dimethyl-2-{2-[(1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}butanamido]-3-hydroxy-N-[(2S)-1-{[(2-hydroxy-4-methoxyphenyl)methyl]amino}-3-methyl-1-oxobutan-2-yl]-2-{[(4-methoxyphenyl)methyl]amino}-5-phenylpentanamide
| Molecular Formula | C42H55N7O8S2 |
|---|---|
| Molecular Weight | 849.36 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Exact Mass | 849.35535 |
| Heavy Atoms | 59 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 169305-70-8 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NCC1=C(C=C(C=C1)OC)O)NC(=O)[C@@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)C)NC(=O)CSC3=NN=CS3)O)NCC4=CC=C(C=C4)OC |
| InChIKey | YBWPZLNOGAMBKC-RCNBIBPKSA-N |
Product Overview
Cbz-Val-NHPhCH2-Statine deriv. (CAS 169305-70-8), with molecular formula C42H55N7O8S2 and molecular weight 849.36 g/mol. IUPAC: (2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[(2-hydroxy-4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]butanamide.
Chemical Property Profile of Cbz-Val-NHPhCH2-Statine deriv.
Property Insights of Cbz-Val-NHPhCH2-Statine deriv.
The XLogP value of 5.9 indicates that Cbz-Val-NHPhCH2-Statine deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 267.0 Ų indicates high polarity, suggesting Cbz-Val-NHPhCH2-Statine deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cbz-Val-NHPhCH2-Statine deriv. has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cbz-Val-NHPhCH2-Statine deriv.?
The CAS number of Cbz-Val-NHPhCH2-Statine deriv. is 169305-70-8.
What is the molecular formula of Cbz-Val-NHPhCH2-Statine deriv.?
The molecular formula of Cbz-Val-NHPhCH2-Statine deriv. is C42H55N7O8S2.
What is the molecular weight of Cbz-Val-NHPhCH2-Statine deriv.?
The molecular weight of Cbz-Val-NHPhCH2-Statine deriv. is 849.36 g/mol.
Where can I buy Cbz-Val-NHPhCH2-Statine deriv.?
You can request a quote for Cbz-Val-NHPhCH2-Statine deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cbz-Val-NHPhCH2-Statine deriv.?
Yes, KEHONG BIO provides custom synthesis services for Cbz-Val-NHPhCH2-Statine deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.