RefChem:199711
TL;DR: RefChem:199711 (CAS 15422-00-1) 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.
diethyl-[3-(2-hydroxy-3-methyl-2-phenylbutanoyl)oxypropyl]azanium chloride
Also Known As: 3-(Diethylamino)propyl isopropyl(phenyl)glycolate hydrochloride, Benzeneacetic acid, alpha-hydroxy-alpha-(1-methylethyl)-, 3-(diethylamino)propyl ester HCl, MANDELIC ACID, alpha-ISOPROPYL-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE, Benzeneacetic acid, alpha-hydroxy-alpha-(1-methylethyl)-, 3-(diethylamino)propyl ester hydrochloride, diethyl-[3-(2-hydroxy-3-methyl-2-phenylbutanoyl)oxypropyl]azanium chloride
| Molecular Formula | C18H30ClNO3 |
|---|---|
| Molecular Weight | 343.19 g/mol |
| LogP | -1.61 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 343.1914 |
| Heavy Atoms | 23 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 15422-00-1 |
|---|---|
| SMILES | CC[NH+](CC)CCCOC(=O)C(C1=CC=CC=C1)(C(C)C)O.[Cl-] |
| InChIKey | JROFPAJLIMXUII-UHFFFAOYSA-N |
Product Overview
RefChem:199711 (CAS 15422-00-1), with molecular formula C18H30ClNO3 and molecular weight 343.19 g/mol. IUPAC: diethyl-[3-(2-hydroxy-3-methyl-2-phenylbutanoyl)oxypropyl]azanium chloride.
Chemical Property Profile of RefChem:199711
Property Insights of RefChem:199711
The XLogP value of -1.61 indicates that RefChem:199711 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:199711 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:199711 has 2 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:199711?
The CAS number of RefChem:199711 is 15422-00-1.
What is the molecular formula of RefChem:199711?
The molecular formula of RefChem:199711 is C18H30ClNO3.
What is the molecular weight of RefChem:199711?
The molecular weight of RefChem:199711 is 343.19 g/mol.
Where can I buy RefChem:199711?
You can request a quote for RefChem:199711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:199711?
Yes, KEHONG BIO provides custom synthesis services for RefChem:199711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.