RefChem:1096960
TL;DR: RefChem:1096960 (CAS 1455-96-5) is a chemical compound with molecular formula C18H30ClNO3 and molecular weight 343.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-methyl-2-(2-phenylethoxy)propanoate;hydrochloride
Also Known As: Sch 1202, 2-Methyl-2-(phenethyloxy)propionic acid 2-(diethylamino)ethyl ester hydrochloride, Propionic acid, 2-methyl-2-(phenethyloxy)-, 2-(diethylamino)ethyl ester, monohydrochloride, 2-(diethylamino)ethyl 2-methyl-2-(2-phenylethoxy)propanoatehydrochloride(1:1), 2-diethylaminoethyl 2-methyl-2-phenethyloxypropanoate hydrochloride
| Molecular Formula | C18H30ClNO3 |
|---|---|
| Molecular Weight | 343.19 g/mol |
| LogP | 3.33 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 343.1914 |
| Heavy Atoms | 23 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 1455-96-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C)(C)OCCC1=CC=CC=C1.Cl |
| InChIKey | CKYFYHXJKHURGC-UHFFFAOYSA-N |
Product Overview
RefChem:1096960 (CAS 1455-96-5), with molecular formula C18H30ClNO3 and molecular weight 343.19 g/mol. IUPAC: 2-(diethylamino)ethyl 2-methyl-2-(2-phenylethoxy)propanoate;hydrochloride.
Chemical Property Profile of RefChem:1096960
Property Insights of RefChem:1096960
The XLogP value of 3.33 indicates that RefChem:1096960 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:1096960 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096960 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:1096960?
The CAS number of RefChem:1096960 is 1455-96-5.
What is the molecular formula of RefChem:1096960?
The molecular formula of RefChem:1096960 is C18H30ClNO3.
What is the molecular weight of RefChem:1096960?
The molecular weight of RefChem:1096960 is 343.19 g/mol.
Where can I buy RefChem:1096960?
You can request a quote for RefChem:1096960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096960?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.