3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate
TL;DR: 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate (CAS 858749-23-2) is a chemical compound with molecular formula C25H27NO6 and molecular weight 437.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-4-methyl-2-oxochromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: EiM07-19026, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate, (3-benzyl-4-methyl-2-oxo-chromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, (3-benzyl-4-methyl-2-oxochromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 3-((tert-butoxycarbonyl)amino)propanoate
| Molecular Formula | C25H27NO6 |
|---|---|
| Molecular Weight | 437.18 g/mol |
| LogP | 4.51242 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.18384 |
| Heavy Atoms | 32 |
| Complexity | 1174.7418 |
Chemical Identifiers
| CAS Number | 858749-23-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCNC(=O)OC(C)(C)C)CC3=CC=CC=C3 |
Product Overview
3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate (CAS 858749-23-2), with molecular formula C25H27NO6 and molecular weight 437.18 g/mol. IUPAC: (3-benzyl-4-methyl-2-oxochromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate
Property Insights of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate
The XLogP value of 4.51242 indicates that 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate. Following Lipinski's Rule of Five, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate has 1 hydrogen bond donor(s) and 6 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 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate?
The CAS number of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate is 858749-23-2.
What is the molecular formula of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate?
The molecular formula of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate is C25H27NO6.
What is the molecular weight of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate?
The molecular weight of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate is 437.18 g/mol.
Where can I buy 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate?
You can request a quote for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.