Einecs 258-405-5
TL;DR: Einecs 258-405-5 (CAS 53166-67-9) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)-1-phenylpropan-1-ol;2-oxochromene-3-carboxylic acid
Also Known As: EINECS 258-405-5, 2-Oxo-2H-1-benzopyran-3-carboxylic acid, compound with (R-(R*,S*))-2-(methylamino)-1-phenylpropanol (1:1), 2-(methylamino)-1-phenylpropan-1-ol; 2-oxochromene-3-carboxylic acid, 2-Oxo-2H-1-benzopyran-3-carboxylic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1), 2-oxo-2H-1-benzopyran-3-carboxylic acid, compound with [R-(R*,S*)]-2-(methylamino)-1-phenylpropanol (1:1)
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.8191 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 920.1378 |
Chemical Identifiers
| CAS Number | 53166-67-9 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)NC.C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O |
Product Overview
Einecs 258-405-5 (CAS 53166-67-9), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: 2-(methylamino)-1-phenylpropan-1-ol;2-oxochromene-3-carboxylic acid.
Chemical Property Profile of Einecs 258-405-5
Property Insights of Einecs 258-405-5
The XLogP value of 2.8191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 258-405-5. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 258-405-5. Following Lipinski's Rule of Five, Einecs 258-405-5 has 3 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 Einecs 258-405-5?
The CAS number of Einecs 258-405-5 is 53166-67-9.
What is the molecular formula of Einecs 258-405-5?
The molecular formula of Einecs 258-405-5 is C20H21NO5.
What is the molecular weight of Einecs 258-405-5?
The molecular weight of Einecs 258-405-5 is 355.14 g/mol.
Where can I buy Einecs 258-405-5?
You can request a quote for Einecs 258-405-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 258-405-5?
Yes, KEHONG BIO provides custom synthesis services for Einecs 258-405-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.