Bis(Cbz-Val-Phe)phosphinate isostere
TL;DR: Bis(Cbz-Val-Phe)phosphinate isostere (CAS 146063-29-8) is a chemical compound with molecular formula C45H57N4O9P and molecular weight 828.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[1-[ethoxy-[1-hydroxy-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropyl]phosphoryl]-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Bis(Cbz-Val-Phe)phosphinate isostere, 2,5,10,13-Tetraaza-7-phosphatetradecanedioic acid, 7-ethoxy-8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide, benzyl N-[(2S)-1-[[1-[ethoxy-[1-hydroxy-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropyl]phosphoryl]-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
| Molecular Formula | C45H57N4O9P |
|---|---|
| Molecular Weight | 828.39 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 828.3863 |
| Heavy Atoms | 59 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 146063-29-8 |
|---|---|
| SMILES | CCOP(=O)(C(CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2)C(C(CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)O |
| InChIKey | CJXVNUDJJMYDLS-FXPGPNBMSA-N |
Product Overview
Bis(Cbz-Val-Phe)phosphinate isostere (CAS 146063-29-8), with molecular formula C45H57N4O9P and molecular weight 828.39 g/mol. IUPAC: benzyl N-[(2S)-1-[[1-[ethoxy-[1-hydroxy-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropyl]phosphoryl]-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of Bis(Cbz-Val-Phe)phosphinate isostere
Property Insights of Bis(Cbz-Val-Phe)phosphinate isostere
The XLogP value of 7.3 indicates that Bis(Cbz-Val-Phe)phosphinate isostere is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Bis(Cbz-Val-Phe)phosphinate isostere may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(Cbz-Val-Phe)phosphinate isostere has 5 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 Bis(Cbz-Val-Phe)phosphinate isostere?
The CAS number of Bis(Cbz-Val-Phe)phosphinate isostere is 146063-29-8.
What is the molecular formula of Bis(Cbz-Val-Phe)phosphinate isostere?
The molecular formula of Bis(Cbz-Val-Phe)phosphinate isostere is C45H57N4O9P.
What is the molecular weight of Bis(Cbz-Val-Phe)phosphinate isostere?
The molecular weight of Bis(Cbz-Val-Phe)phosphinate isostere is 828.39 g/mol.
Where can I buy Bis(Cbz-Val-Phe)phosphinate isostere?
You can request a quote for Bis(Cbz-Val-Phe)phosphinate isostere directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(Cbz-Val-Phe)phosphinate isostere?
Yes, KEHONG BIO provides custom synthesis services for Bis(Cbz-Val-Phe)phosphinate isostere and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.