N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine
TL;DR: N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine (CAS 139286-87-6) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-hydroxy-2-oxochromen-8-yl)methylamino]propanoic acid
Also Known As: NCI60_025976, N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine, 2-[(7-hydroxy-2-oxochromen-8-yl)methylamino]propanoic acid, 2-[(7-hydroxy-2-oxo-chromen-8-yl)methylamino]propanoic acid, 2-[(7-Hydroxy-2-oxo-2H-chromen-8-ylmethyl)-amino]-propionic acid
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.0613 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 676.2782 |
Chemical Identifiers
| CAS Number | 139286-87-6 |
|---|---|
| SMILES | CC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2)O |
Product Overview
N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine (CAS 139286-87-6), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: 2-[(7-hydroxy-2-oxochromen-8-yl)methylamino]propanoic acid.
Chemical Property Profile of N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine
Property Insights of N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine
The XLogP value of 1.0613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine. Following Lipinski's Rule of Five, N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine 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 N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine?
The CAS number of N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine is 139286-87-6.
What is the molecular formula of N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine?
The molecular formula of N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine is C13H13NO5.
What is the molecular weight of N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine?
The molecular weight of N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine is 263.08 g/mol.
Where can I buy N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine?
You can request a quote for N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.