RefChem:315729
TL;DR: RefChem:315729 (CAS 27682-57-1) is a chemical compound with molecular formula C28H41ClN2O5 and molecular weight 520.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butoxyphenoxy)-N-(2,5-diethoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride
Also Known As: Acetanilide, 2-(p-butoxyphenoxy)-2',5'-diethoxy-N-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride, 2-(p-Butoxyphenoxy)-2',5'-diethoxy-N-(2-(1-pyrrolidinyl)ethyl)acetanilide hydrochloride, 2-(4-butoxyphenoxy)-N-(2,5-diethoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride, RefChem:315729
| Molecular Formula | C28H41ClN2O5 |
|---|---|
| Molecular Weight | 520.27 g/mol |
| LogP | 0.76 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 520.2704 |
| Heavy Atoms | 36 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 27682-57-1 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)OCC(=O)N(CC[NH+]2CCCC2)C3=C(C=CC(=C3)OCC)OCC.[Cl-] |
| InChIKey | CYDMZLBPYHSRMO-UHFFFAOYSA-N |
Product Overview
RefChem:315729 (CAS 27682-57-1), with molecular formula C28H41ClN2O5 and molecular weight 520.27 g/mol. IUPAC: 2-(4-butoxyphenoxy)-N-(2,5-diethoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride.
Chemical Property Profile of RefChem:315729
Property Insights of RefChem:315729
The XLogP value of 0.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315729. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315729. Following Lipinski's Rule of Five, RefChem:315729 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:315729?
The CAS number of RefChem:315729 is 27682-57-1.
What is the molecular formula of RefChem:315729?
The molecular formula of RefChem:315729 is C28H41ClN2O5.
What is the molecular weight of RefChem:315729?
The molecular weight of RefChem:315729 is 520.27 g/mol.
Where can I buy RefChem:315729?
You can request a quote for RefChem:315729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315729?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.