1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide
TL;DR: 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide (CAS 30555-45-4) is a chemical compound with molecular formula C11H18BrNO2 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminophenyl)-2-ethylpropane-1,3-diol;hydrobromide
Also Known As: 2-Ethyl-2-(p-aminophenyl)-1,3-propanediol hydrobromide, 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide, 2-(p-Aminophenyl)-2-ethyl-1,3-propanediol hydrobromide, 2-(4-aminophenyl)-2-ethylpropane-1,3-diol,hydrobromide, 2-(4-aminophenyl)-2-ethylpropane-1,3-diol hydrobromide
| Molecular Formula | C11H18BrNO2 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 1.4791 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0521 |
| Heavy Atoms | 15 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 30555-45-4 |
|---|---|
| SMILES | CCC(CO)(CO)C1=CC=C(C=C1)N.Br |
| InChIKey | ZDSZCUGBELZLCO-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide (CAS 30555-45-4), with molecular formula C11H18BrNO2 and molecular weight 275.05 g/mol. IUPAC: 2-(4-aminophenyl)-2-ethylpropane-1,3-diol;hydrobromide.
Chemical Property Profile of 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide
Property Insights of 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide
The XLogP value of 1.4791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide has 4 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 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide?
The CAS number of 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide is 30555-45-4.
What is the molecular formula of 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide?
The molecular formula of 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide is C11H18BrNO2.
What is the molecular weight of 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide?
The molecular weight of 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide is 275.05 g/mol.
Where can I buy 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide?
You can request a quote for 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, 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-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(p-aminophenyl)-2-ethyl-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.