RefChem:316680
TL;DR: RefChem:316680 (CAS 94912-15-9) is a chemical compound with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl-[2-(2-phenoxyacetyl)oxy-2-phenylethyl]-propan-2-ylazanium chloride
Also Known As: Phenoxyacetic acid alpha-((isopropylmethylamino)methyl)benzyl ester hydrochloride, Acetic acid, phenoxy-, alpha-((isopropylmethylamino)methyl)benzyl ester, hydrochloride, METHYL-[2-(2-PHENOXYACETYL)OXY-2-PHENYLETHYL]-PROPAN-2-YLAZANIUMCHLORIDE, methyl-[2-(2-phenoxyacetyl)oxy-2-phenylethyl]-propan-2-ylazanium chloride
| Molecular Formula | C20H26ClNO3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | -0.72 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 363.16013 |
| Heavy Atoms | 25 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 94912-15-9 |
|---|---|
| SMILES | CC(C)[NH+](C)CC(C1=CC=CC=C1)OC(=O)COC2=CC=CC=C2.[Cl-] |
| InChIKey | OIBKODGQDGGHIP-UHFFFAOYSA-N |
Product Overview
RefChem:316680 (CAS 94912-15-9), with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol. IUPAC: methyl-[2-(2-phenoxyacetyl)oxy-2-phenylethyl]-propan-2-ylazanium chloride.
Chemical Property Profile of RefChem:316680
Property Insights of RefChem:316680
The XLogP value of -0.72 indicates that RefChem:316680 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:316680 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:316680 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:316680?
The CAS number of RefChem:316680 is 94912-15-9.
What is the molecular formula of RefChem:316680?
The molecular formula of RefChem:316680 is C20H26ClNO3.
What is the molecular weight of RefChem:316680?
The molecular weight of RefChem:316680 is 363.16 g/mol.
Where can I buy RefChem:316680?
You can request a quote for RefChem:316680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316680?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.