N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl
TL;DR: N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl (CAS 57028-62-3) is a chemical compound with molecular formula C20H26ClNO5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carboxyethyl-cyclohexyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]azanium chloride
Also Known As: N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl, beta-Alanine, N-cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-, hydrochloride, 2-carboxyethyl-cyclohexyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]azanium chloride, beta-ALANINE, N-CYCLOHEXYL-N-((7-HYDROXY-4-METHYL-2-OXO-2H-1-BENZOPYRAN-8-YL)MET, RefChem:1079603
| Molecular Formula | C20H26ClNO5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | -0.99668 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.14996 |
| Heavy Atoms | 27 |
| Complexity | 857.3063 |
Chemical Identifiers
| CAS Number | 57028-62-3 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2C[NH+](CCC(=O)O)C3CCCCC3)O.[Cl-] |
Product Overview
N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl (CAS 57028-62-3), with molecular formula C20H26ClNO5 and molecular weight 395.15 g/mol. IUPAC: 2-carboxyethyl-cyclohexyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]azanium chloride.
Chemical Property Profile of N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl
Property Insights of N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl
The XLogP value of -0.99668 indicates that N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl. Following Lipinski's Rule of Five, N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl has 3 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 N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl?
The CAS number of N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl is 57028-62-3.
What is the molecular formula of N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl?
The molecular formula of N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl is C20H26ClNO5.
What is the molecular weight of N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl?
The molecular weight of N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl is 395.15 g/mol.
Where can I buy N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl?
You can request a quote for N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl?
Yes, KEHONG BIO provides custom synthesis services for N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.