1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide
TL;DR: 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide (CAS 52144-94-2) is a chemical compound with molecular formula C16H24BrNO5 and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] acetate;hydrobromide
Also Known As: 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide, [3-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] acetate hydrobromide, 4-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-phenylene diacetate--hydrogen bromide (1/1)
| Molecular Formula | C16H24BrNO5 |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 2.5366 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.0838 |
| Heavy Atoms | 23 |
| Complexity | 553.89185 |
Chemical Identifiers
| CAS Number | 52144-94-2 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)C(CNC(C)(C)C)O)OC(=O)C.Br |
Product Overview
1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide (CAS 52144-94-2), with molecular formula C16H24BrNO5 and molecular weight 389.08 g/mol. IUPAC: [3-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] acetate;hydrobromide.
Chemical Property Profile of 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide
Property Insights of 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide
The XLogP value of 2.5366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide. Following Lipinski's Rule of Five, 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, 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, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide?
The CAS number of 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide is 52144-94-2.
What is the molecular formula of 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide?
The molecular formula of 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide is C16H24BrNO5.
What is the molecular weight of 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide?
The molecular weight of 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide is 389.08 g/mol.
Where can I buy 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide?
You can request a quote for 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, 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, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.