氢溴酸芬尼索酮
TL;DR: 氢溴酸芬尼索酮 (CAS 57137-22-1) is a chemical compound with molecular formula C12H18BrNO3 and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氢溴酸芬尼索酮
1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)propan-1-one;hydrobromide
Also Known As: Phenisonone hydrobromide, Dapanone hydrobromide, Bronchodilator 1313, 3,4-Dihydroxy-alpha-(isopropylamino)propiophenone hydrobromide, 1-Propanone, 1-(3,4-dihydroxyphenyl)-2-((1-methylethyl)amino)-, hydrobromide
| Molecular Formula | C12H18BrNO3 |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 2.2449 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.047 |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 57137-22-1 |
|---|---|
| SMILES | CC(C)NC(C)C(=O)C1=CC(=C(C=C1)O)O.Br |
| InChIKey | NKKZQPAPDMHZSR-UHFFFAOYSA-N |
Product Overview
氢溴酸芬尼索酮 (CAS 57137-22-1), with molecular formula C12H18BrNO3 and molecular weight 303.05 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)propan-1-one;hydrobromide.
Chemical Property Profile of 氢溴酸芬尼索酮
Property Insights of 氢溴酸芬尼索酮
The XLogP value of 2.2449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氢溴酸芬尼索酮. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氢溴酸芬尼索酮. Following Lipinski's Rule of Five, 氢溴酸芬尼索酮 has 4 hydrogen bond donor(s) and 4 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 氢溴酸芬尼索酮?
The CAS number of 氢溴酸芬尼索酮 is 57137-22-1.
What is the molecular formula of 氢溴酸芬尼索酮?
The molecular formula of 氢溴酸芬尼索酮 is C12H18BrNO3.
What is the molecular weight of 氢溴酸芬尼索酮?
The molecular weight of 氢溴酸芬尼索酮 is 303.05 g/mol.
Where can I buy 氢溴酸芬尼索酮?
You can request a quote for 氢溴酸芬尼索酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氢溴酸芬尼索酮?
Yes, KEHONG BIO provides custom synthesis services for 氢溴酸芬尼索酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.