1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride
TL;DR: 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride (CAS 52223-87-7) is a chemical compound with molecular formula C22H36BrNO5 and molecular weight 473.18 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-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate;hydrobromide
Also Known As: 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride, Propanoic acid, 2,2-dimethyl-, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-1,3-phenylene ester, hydrobromide, [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate hydrobromide, 5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-phenylene bis(2,2-dimethylpropanoate)--hydrogen bromide (1/1)
| Molecular Formula | C22H36BrNO5 |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 4.589 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.1777 |
| Heavy Atoms | 29 |
| Complexity | 665.13354 |
Chemical Identifiers
| CAS Number | 52223-87-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C(C)(C)C.Br |
Product Overview
1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride (CAS 52223-87-7), with molecular formula C22H36BrNO5 and molecular weight 473.18 g/mol. IUPAC: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate;hydrobromide.
Chemical Property Profile of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride
Property Insights of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride
The XLogP value of 4.589 indicates that 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride 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-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride. Following Lipinski's Rule of Five, 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride 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-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride?
The CAS number of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride is 52223-87-7.
What is the molecular formula of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride?
The molecular formula of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride is C22H36BrNO5.
What is the molecular weight of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride?
The molecular weight of 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride is 473.18 g/mol.
Where can I buy 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride?
You can request a quote for 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, 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)-, neopentanoate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, neopentanoate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.