RefChem:1057090
TL;DR: RefChem:1057090 (CAS 5402-85-7) is a chemical compound with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;hydrochloride
Also Known As: KST-1B5066, 1-(3-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol hydrochloride(1:1), 1-Pyrrolidineethanol, 2,2,5,5-tetramethyl-alpha-((m-tolyloxy)methyl)-, hydrochloride, 1-Pyrrolidineethanol, alpha-((3-methylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochloride, alpha-((3-Methylphenoxy)methyl)-2,2,5,5-tetramethyl-1-pyrrolidineethanol hydrochloride
| Molecular Formula | C18H30ClNO2 |
|---|---|
| Molecular Weight | 327.20 g/mol |
| LogP | 3.80952 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.1965 |
| Heavy Atoms | 22 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 5402-85-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C(CCC2(C)C)(C)C)O.Cl |
| InChIKey | URAGOCBTPWLNRZ-UHFFFAOYSA-N |
Product Overview
RefChem:1057090 (CAS 5402-85-7), with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol. IUPAC: 1-(3-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;hydrochloride.
Chemical Property Profile of RefChem:1057090
Property Insights of RefChem:1057090
The XLogP value of 3.80952 indicates that RefChem:1057090 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:1057090 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057090 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:1057090?
The CAS number of RefChem:1057090 is 5402-85-7.
What is the molecular formula of RefChem:1057090?
The molecular formula of RefChem:1057090 is C18H30ClNO2.
What is the molecular weight of RefChem:1057090?
The molecular weight of RefChem:1057090 is 327.20 g/mol.
Where can I buy RefChem:1057090?
You can request a quote for RefChem:1057090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057090?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.