Bayrotren
TL;DR: Bayrotren (CAS 77124-27-7) is a chemical compound with molecular formula C16H30N2O3 and molecular weight 298.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-1-hydroxyethyl)phenol;6-amino-2-methylheptan-2-ol
Also Known As: Bayrotren, Bay e 1313, 3-(2-amino-1-hydroxyethyl)phenol;6-amino-2-methylheptan-2-ol, 3-(2-amino-1-hydroxyethyl)phenol; 6-amino-2-methylheptan-2-ol, 3-(2-Amino-1-hydroxyethyl)phenol--6-amino-2-methylheptan-2-ol (1/1)
| Molecular Formula | C16H30N2O3 |
|---|---|
| Molecular Weight | 298.23 g/mol |
| LogP | 1.6591 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.22565 |
| Heavy Atoms | 21 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 77124-27-7 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)N.C1=CC(=CC(=C1)O)C(CN)O |
| InChIKey | XBPOYGMKODMRSU-UHFFFAOYSA-N |
Product Overview
Bayrotren (CAS 77124-27-7), with molecular formula C16H30N2O3 and molecular weight 298.23 g/mol. IUPAC: 3-(2-amino-1-hydroxyethyl)phenol;6-amino-2-methylheptan-2-ol.
Chemical Property Profile of Bayrotren
Property Insights of Bayrotren
The XLogP value of 1.6591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bayrotren. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bayrotren. Following Lipinski's Rule of Five, Bayrotren has 5 hydrogen bond donor(s) and 5 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 Bayrotren?
The CAS number of Bayrotren is 77124-27-7.
What is the molecular formula of Bayrotren?
The molecular formula of Bayrotren is C16H30N2O3.
What is the molecular weight of Bayrotren?
The molecular weight of Bayrotren is 298.23 g/mol.
Where can I buy Bayrotren?
You can request a quote for Bayrotren directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bayrotren?
Yes, KEHONG BIO provides custom synthesis services for Bayrotren and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.