1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride
TL;DR: 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride (CAS 52223-83-3) is a chemical compound with molecular formula C20H32BrNO5 and molecular weight 445.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate;hydrobromide
Also Known As: 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride, Propanoic acid, 2-methyl-, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-1,3-phenylene ester, hydrobromide, 5-(2-((1,1-Dimethylethyl)amino)-1-hydroxyethyl)-1,3-phenylene bisisobutyrate hydrobromide, 5-[2-[ amino]-1-hydroxyethyl]-1,3-phenylenebisisobutyratehydrobromide, 5-[2-[(1,1-DIMETHYLETHYL)AMINO]-1-HYDROXYETHYL]-1,3-PHENYLENE BISISOBUTYRATE HYDROBROMIDE
| Molecular Formula | C20H32BrNO5 |
|---|---|
| Molecular Weight | 445.15 g/mol |
| LogP | 3.8088 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 445.1464 |
| Heavy Atoms | 27 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 52223-83-3 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C(C)C.Br |
| InChIKey | BWZYYMJUBTWGSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride (CAS 52223-83-3), with molecular formula C20H32BrNO5 and molecular weight 445.15 g/mol. IUPAC: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate;hydrobromide.
Chemical Property Profile of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride
Property Insights of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride
The XLogP value of 3.8088 indicates that 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride. Following Lipinski's Rule of Five, 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride has 3 hydrogen bond donor(s) and 6 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 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride?
The CAS number of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride is 52223-83-3.
What is the molecular formula of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride?
The molecular formula of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride is C20H32BrNO5.
What is the molecular weight of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride?
The molecular weight of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride is 445.15 g/mol.
Where can I buy 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride?
You can request a quote for 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.