RefChem:1058536
TL;DR: RefChem:1058536 (CAS 5404-64-8) 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-(3,4-dimethylphenoxy)-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol;hydrochloride
Also Known As: KST-1B5078, 1H-Pyrrole-1-ethanol, 2,5-dihydro-alpha-((3,4-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochloride, 2,5-Dihydro-alpha-((3,4-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-1H-pyrrole-1-ethanol HCl, 1-(3,4-dimethylphenoxy)-3-(2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-1-yl)propan-2-ol hydrochloride(1:1), 1-(3,4-dimethylphenoxy)-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol hydrochloride
| Molecular Formula | C19H30ClNO2 |
|---|---|
| Molecular Weight | 339.20 g/mol |
| LogP | 3.89394 |
| 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 | 384.0 |
Chemical Identifiers
| CAS Number | 5404-64-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(CN2C(C=CC2(C)C)(C)C)O)C.Cl |
| InChIKey | JZLZGESTBFJUBV-UHFFFAOYSA-N |
Product Overview
RefChem:1058536 (CAS 5404-64-8), with molecular formula C19H30ClNO2 and molecular weight 339.20 g/mol. IUPAC: 1-(3,4-dimethylphenoxy)-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol;hydrochloride.
Chemical Property Profile of RefChem:1058536
Property Insights of RefChem:1058536
The XLogP value of 3.89394 indicates that RefChem:1058536 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:1058536 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058536 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:1058536?
The CAS number of RefChem:1058536 is 5404-64-8.
What is the molecular formula of RefChem:1058536?
The molecular formula of RefChem:1058536 is C19H30ClNO2.
What is the molecular weight of RefChem:1058536?
The molecular weight of RefChem:1058536 is 339.20 g/mol.
Where can I buy RefChem:1058536?
You can request a quote for RefChem:1058536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058536?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.