RefChem:1054212
TL;DR: RefChem:1054212 (CAS 5402-75-5) is a chemical compound with molecular formula C19H30ClNO2 and molecular weight 339.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenoxy)-3-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)propan-2-ol;hydrochloride
Also Known As: N-(3-chloro-2-methylphenyl)methanamine, 1(2H)-Pyridineethanol, 3,6-dihydro-alpha-((3-methylphenoxy)methyl)-2,2,6,6-tetramethyl-, hydrochloride, 1-(3-methylphenoxy)-3-(2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2h)-yl)propan-2-ol hydrochloride(1:1), 2-Propanol, 1-(m-methylphenoxy)-3-(2,2,6,6-tetramethyl-1(2H)-pyridinyl)-, hydrochloride, 3,6-Dihydro-alpha-((3-methylphenoxy)methyl)-2,2,6,6-tetramethyl-1(2H)-pyridineethanol HCl
| Molecular Formula | C19H30ClNO2 |
|---|---|
| Molecular Weight | 339.20 g/mol |
| LogP | 3.97562 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.1965 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 5402-75-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C(CC=CC2(C)C)(C)C)O.Cl |
| InChIKey | RQIHNCSKCZXFGZ-UHFFFAOYSA-N |
Product Overview
RefChem:1054212 (CAS 5402-75-5), with molecular formula C19H30ClNO2 and molecular weight 339.20 g/mol. IUPAC: 1-(3-methylphenoxy)-3-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)propan-2-ol;hydrochloride.
Chemical Property Profile of RefChem:1054212
Property Insights of RefChem:1054212
The XLogP value of 3.97562 indicates that RefChem:1054212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, RefChem:1054212 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054212 has 2 hydrogen bond donor(s) and 3 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:1054212?
The CAS number of RefChem:1054212 is 5402-75-5.
What is the molecular formula of RefChem:1054212?
The molecular formula of RefChem:1054212 is C19H30ClNO2.
What is the molecular weight of RefChem:1054212?
The molecular weight of RefChem:1054212 is 339.20 g/mol.
Where can I buy RefChem:1054212?
You can request a quote for RefChem:1054212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054212?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.