RefChem:1075834
TL;DR: RefChem:1075834 (CAS 13087-54-2) is a chemical compound with molecular formula C21H28ClNO3 and molecular weight 377.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenylpentyl]azanium chloride
Also Known As: Phenoxyacetic acid alpha-(2-(dimethylamino)ethyl)-alpha-ethylbenzyl ester hydrochloride, Acetic acid, phenoxy-, alpha-(2-(dimethylamino)ethyl)-alpha-ethylbenzyl ester, hydrochloride, dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenylpentyl]azanium chloride, RefChem:1075834
| Molecular Formula | C21H28ClNO3 |
|---|---|
| Molecular Weight | 377.18 g/mol |
| LogP | -0.55 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 377.17578 |
| Heavy Atoms | 26 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 13087-54-2 |
|---|---|
| SMILES | CCC(CC[NH+](C)C)(C1=CC=CC=C1)OC(=O)COC2=CC=CC=C2.[Cl-] |
| InChIKey | VPYDCEPWYIFMMX-UHFFFAOYSA-N |
Product Overview
RefChem:1075834 (CAS 13087-54-2), with molecular formula C21H28ClNO3 and molecular weight 377.18 g/mol. IUPAC: dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenylpentyl]azanium chloride.
Chemical Property Profile of RefChem:1075834
Property Insights of RefChem:1075834
The XLogP value of -0.55 indicates that RefChem:1075834 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:1075834 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075834 has 1 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 RefChem:1075834?
The CAS number of RefChem:1075834 is 13087-54-2.
What is the molecular formula of RefChem:1075834?
The molecular formula of RefChem:1075834 is C21H28ClNO3.
What is the molecular weight of RefChem:1075834?
The molecular weight of RefChem:1075834 is 377.18 g/mol.
Where can I buy RefChem:1075834?
You can request a quote for RefChem:1075834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075834?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.