1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide
TL;DR: 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide (CAS 52223-84-4) is a chemical compound with molecular formula C18H28BrNO5 and molecular weight 417.12 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-propanoyloxyphenyl] propanoate;hydrobromide
Also Known As: 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide, [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-propanoyloxyphenyl] propanoate hydrobromide, 5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-phenylene dipropanoate--hydrogen bromide (1/1)
| Molecular Formula | C18H28BrNO5 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 3.3168 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.11508 |
| Heavy Atoms | 25 |
| Complexity | 547.0694 |
Chemical Identifiers
| CAS Number | 52223-84-4 |
|---|---|
| SMILES | CCC(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)CC.Br |
Product Overview
1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide (CAS 52223-84-4), with molecular formula C18H28BrNO5 and molecular weight 417.12 g/mol. IUPAC: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-propanoyloxyphenyl] propanoate;hydrobromide.
Chemical Property Profile of 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide
Property Insights of 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide
The XLogP value of 3.3168 indicates that 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide. Following Lipinski's Rule of Five, 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide has 2 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-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide?
The CAS number of 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide is 52223-84-4.
What is the molecular formula of 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide?
The molecular formula of 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide is C18H28BrNO5.
What is the molecular weight of 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide?
The molecular weight of 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide is 417.12 g/mol.
Where can I buy 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide?
You can request a quote for 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide 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-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.