RefChem:1100898
TL;DR: RefChem:1100898 (CAS 94261-79-7) is a chemical compound with molecular formula C18H29ClNO3- and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-hydroxy-3-methyl-2-phenylpentanoate chloride
Also Known As: 3-Hydroxy-3-methyl-2-phenylvaleric acid 2-(diethylamino)ethyl ester hydrochloride, Valeric acid, 3-hydroxy-3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride, Pentanoic acid, 3-hydroxy-3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride, 2-diethylaminoethyl 3-hydroxy-3-methyl-2-phenylpentanoate chloride, RefChem:1100898
| Molecular Formula | C18H29ClNO3- |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | -0.1798 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 342.1836 |
| Heavy Atoms | 23 |
| Complexity | 446.83972 |
Chemical Identifiers
| CAS Number | 94261-79-7 |
|---|---|
| SMILES | CCC(C)(C(C1=CC=CC=C1)C(=O)OCCN(CC)CC)O.[Cl-] |
Product Overview
RefChem:1100898 (CAS 94261-79-7), with molecular formula C18H29ClNO3- and molecular weight 342.18 g/mol. IUPAC: 2-(diethylamino)ethyl 3-hydroxy-3-methyl-2-phenylpentanoate chloride.
Chemical Property Profile of RefChem:1100898
Property Insights of RefChem:1100898
The XLogP value of -0.1798 indicates that RefChem:1100898 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.77 Ų, RefChem:1100898 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1100898 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:1100898?
The CAS number of RefChem:1100898 is 94261-79-7.
What is the molecular formula of RefChem:1100898?
The molecular formula of RefChem:1100898 is C18H29ClNO3-.
What is the molecular weight of RefChem:1100898?
The molecular weight of RefChem:1100898 is 342.18 g/mol.
Where can I buy RefChem:1100898?
You can request a quote for RefChem:1100898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100898?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.