Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate
TL;DR: Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate (CAS 216094-54-1) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
Also Known As: Paclitaxel Impurity 25, Paclitaxel Impurity 32, (2R,3S)-3-Phenylisoserine ethylester, Paclitaxel Ethyl ester side chain, (2R,3S)-Ethyl 3-benzamido-2-hydroxy-3-phenylpropanoate
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.0817 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 642.5859 |
Chemical Identifiers
| CAS Number | 216094-54-1 |
|---|---|
| SMILES | CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O |
Product Overview
Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate (CAS 216094-54-1), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate.
Chemical Property Profile of Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate
Property Insights of Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate
The XLogP value of 2.0817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate. Following Lipinski's Rule of Five, Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate?
The CAS number of Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate is 216094-54-1.
What is the molecular formula of Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate?
The molecular formula of Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate is C18H19NO4.
What is the molecular weight of Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate?
The molecular weight of Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate is 313.13 g/mol.
Where can I buy Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate?
You can request a quote for Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.