RefChem:374794
TL;DR: RefChem:374794 (CAS 86819-27-4) is a chemical compound with molecular formula C22H30ClNO4 and molecular weight 407.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-yl]oxypropanoic acid;hydrochloride
Also Known As: 2-((3-Dimethylamino-2-(2-carboxyethoxy))propoxy)bibenzyl hydrochloride, Propanoic acid, 3-(1-((dimethylamino)methyl)-2-(2-(2-phenylethyl)phenoxy)ethoxy)-, hydrochloride, 3-[1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-yl, 3-[1-(dimethylamino)-3-(2-phenethylphenoxy)propan-2-yl]oxypropanoic acid hydrochloride, 3-({1-(Dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-yl}oxy)propanoic acid--hydrogen chloride (1/1)
| Molecular Formula | C22H30ClNO4 |
|---|---|
| Molecular Weight | 407.19 g/mol |
| LogP | 3.6939 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 407.18634 |
| Heavy Atoms | 28 |
| Complexity | 693.9459 |
Chemical Identifiers
| CAS Number | 86819-27-4 |
|---|---|
| SMILES | CN(C)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)OCCC(=O)O.Cl |
Product Overview
RefChem:374794 (CAS 86819-27-4), with molecular formula C22H30ClNO4 and molecular weight 407.19 g/mol. IUPAC: 3-[1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-yl]oxypropanoic acid;hydrochloride.
Chemical Property Profile of RefChem:374794
Property Insights of RefChem:374794
The XLogP value of 3.6939 indicates that RefChem:374794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, RefChem:374794 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:374794 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:374794?
The CAS number of RefChem:374794 is 86819-27-4.
What is the molecular formula of RefChem:374794?
The molecular formula of RefChem:374794 is C22H30ClNO4.
What is the molecular weight of RefChem:374794?
The molecular weight of RefChem:374794 is 407.19 g/mol.
Where can I buy RefChem:374794?
You can request a quote for RefChem:374794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:374794?
Yes, KEHONG BIO provides custom synthesis services for RefChem:374794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.