Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester
TL;DR: Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester (CAS 197643-49-5) is a chemical compound with molecular formula C30H40N3O9PS and molecular weight 649.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanamide
Also Known As: Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester, (R-(R*,S*))-N-(4-(((Diethoxyphosphinyl)ethyl)phenyl))-a-((2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)-phenyl)ethyl)amino)-4-methoxy-a-methylbenzeneacetamide, (2S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanamide, {4-[(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-propionylamino]-benzyl}-phosphonic acid diethyl ester, RefChem:120708
| Molecular Formula | C30H40N3O9PS |
|---|---|
| Molecular Weight | 649.22 g/mol |
| LogP | 4.7155 |
| Topological Polar Surface Area | 172.52 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 649.2223 |
| Heavy Atoms | 44 |
| Complexity | 1557.5765 |
Chemical Identifiers
| CAS Number | 197643-49-5 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)NC(=O)[C@](C)(C2=CC=C(C=C2)OC)NC[C@@H](C3=CC(=C(C=C3)O)NS(=O)(=O)C)O)OCC |
Product Overview
Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester (CAS 197643-49-5), with molecular formula C30H40N3O9PS and molecular weight 649.22 g/mol. IUPAC: (2S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanamide.
Chemical Property Profile of Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester
Property Insights of Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester
The XLogP value of 4.7155 indicates that Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.52 Ų indicates high polarity, suggesting Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester?
The CAS number of Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester is 197643-49-5.
What is the molecular formula of Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester?
The molecular formula of Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester is C30H40N3O9PS.
What is the molecular weight of Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester?
The molecular weight of Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester is 649.22 g/mol.
Where can I buy Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester?
You can request a quote for Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, ((4-(((2S)-2-(((2R)-2-hydroxy-2-(4-hydroxy-3-((methylsulfonyl)amino)phenyl)ethyl)amino)-2-(4-methoxyphenyl)-1-oxopropyl)amino)phenyl)methyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.