m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate
TL;DR: m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate (CAS 27471-65-4) is a chemical compound with molecular formula C29H35N5O11 and molecular weight 629.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxyanilino)ethyl-diethylazanium;2,4,6-trinitrophenolate
Also Known As: m-ACETANISIDIDE, N-(2-(DIETHYLAMINO)ETHYL)-2-(p-ETHOXYPHENOXY)-, MONOPICRATE, N-(2-(Diethylamino)ethyl)-2-(p-ethoxyphenoxy)-m-acetanisidide picrate, 2-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxyanilino)ethyl-diethylazanium;2,4,6-trinitrophenolate, 2-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxyanilino)ethyl-diethylazanium; 2,4,6-trinitrophenolate, 2-[2-(4-Ethoxyphenoxy)-N-(3-methoxyphenyl)acetamido]-N,N-diethylethan-1-aminium 2,4,6-trinitrophenolate
| Molecular Formula | C29H35N5O11 |
|---|---|
| Molecular Weight | 629.23 g/mol |
| LogP | 2.92 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 629.23334 |
| Heavy Atoms | 45 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 27471-65-4 |
|---|---|
| SMILES | CC[NH+](CC)CCN(C1=CC(=CC=C1)OC)C(=O)COC2=CC=C(C=C2)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PDCBPPMYEMZWRM-UHFFFAOYSA-N |
Product Overview
m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate (CAS 27471-65-4), with molecular formula C29H35N5O11 and molecular weight 629.23 g/mol. IUPAC: 2-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxyanilino)ethyl-diethylazanium;2,4,6-trinitrophenolate.
Chemical Property Profile of m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate
Property Insights of m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate
The XLogP value of 2.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate. The TPSA of 213.0 Ų indicates high polarity, suggesting m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate has 1 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 m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate?
The CAS number of m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate is 27471-65-4.
What is the molecular formula of m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate?
The molecular formula of m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate is C29H35N5O11.
What is the molecular weight of m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate?
The molecular weight of m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate is 629.23 g/mol.
Where can I buy m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate?
You can request a quote for m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate?
Yes, KEHONG BIO provides custom synthesis services for m-Acetanisidide, N-(2-(diethylamino)ethyl)-2-(p-ethoxyphenoxy)-, monopicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.