RefChem:1079435
TL;DR: RefChem:1079435 (CAS 36674-59-6) is a chemical compound with molecular formula C12H20ClNO2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride
Also Known As: C(O)(CNC(C)(C)C)c1cccc(O)c1, alpha-(((1,1-Dimethylethyl)amino)methyl)-3-hydroxybenzyl alcohol hydrochloride, Benzyl alcohol, alpha-(((1,1-dimethylethyl)amino)methyl)-3-hydroxy-, hydrochloride, tert-butyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride, RefChem:1079435
| Molecular Formula | C12H20ClNO2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | -2.21 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.11826 |
| Heavy Atoms | 16 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 36674-59-6 |
|---|---|
| SMILES | CC(C)(C)[NH2+]CC(C1=CC(=CC=C1)O)O.[Cl-] |
| InChIKey | ZGRQCKBBCGTZFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1079435 (CAS 36674-59-6), with molecular formula C12H20ClNO2 and molecular weight 245.12 g/mol. IUPAC: tert-butyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride.
Chemical Property Profile of RefChem:1079435
Property Insights of RefChem:1079435
The XLogP value of -2.21 indicates that RefChem:1079435 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.1 Ų, RefChem:1079435 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079435 has 3 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:1079435?
The CAS number of RefChem:1079435 is 36674-59-6.
What is the molecular formula of RefChem:1079435?
The molecular formula of RefChem:1079435 is C12H20ClNO2.
What is the molecular weight of RefChem:1079435?
The molecular weight of RefChem:1079435 is 245.12 g/mol.
Where can I buy RefChem:1079435?
You can request a quote for RefChem:1079435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079435?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.