![2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid structure](/static/products/1006/100628-55-5.webp)
2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid
TL;DR: 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid (CAS 100628-55-5) is a chemical compound with molecular formula C21H27N4O8P and molecular weight 494.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]-1-carboxyethyl]carbamoyl]benzoic acid
Also Known As: 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid, 2-[[3-[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]-1-hydroxy-1-oxopropan-2-yl]carbamoyl]benzoic acid, 3-({Bis[(2-hydroxyethyl)amino]phosphoryl}amino)-N-[(2-carboxyphenyl)(hydroxy)methylidene]phenylalanine
| Molecular Formula | C21H27N4O8P |
|---|---|
| Molecular Weight | 494.16 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 494.15665 |
| Heavy Atoms | 34 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 100628-55-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(CC2=CC(=CC=C2)NP(=O)(NCCO)NCCO)C(=O)O)C(=O)O |
| InChIKey | XATHPXCHPKLOQN-UHFFFAOYSA-N |
Product Overview
2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid (CAS 100628-55-5), with molecular formula C21H27N4O8P and molecular weight 494.16 g/mol. IUPAC: 2-[[2-[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]-1-carboxyethyl]carbamoyl]benzoic acid.
Chemical Property Profile of 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid
Property Insights of 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid
The XLogP value of -0.2 indicates that 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid?
The CAS number of 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid is 100628-55-5.
What is the molecular formula of 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid?
The molecular formula of 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid is C21H27N4O8P.
What is the molecular weight of 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid?
The molecular weight of 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid is 494.16 g/mol.
Where can I buy 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid?
You can request a quote for 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[1-[[3-[bis(2-hydroxyethylamino)phosphorylamino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.