4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate
TL;DR: 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate (CAS 858756-75-9) is a chemical compound with molecular formula C19H23NO6 and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,7-dimethyl-2-oxochromen-5-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: EiM07-20325, 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate, (4,7-dimethyl-2-oxochromen-5-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, 4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-((tert-butoxycarbonyl)amino)propanoate
| Molecular Formula | C19H23NO6 |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 3.23004 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.15253 |
| Heavy Atoms | 26 |
| Complexity | 891.2631 |
Chemical Identifiers
| CAS Number | 858756-75-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)CCNC(=O)OC(C)(C)C |
Product Overview
4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate (CAS 858756-75-9), with molecular formula C19H23NO6 and molecular weight 361.15 g/mol. IUPAC: (4,7-dimethyl-2-oxochromen-5-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate
Property Insights of 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate
The XLogP value of 3.23004 indicates that 4,7-dimethyl-2-oxo-2H-chromen-5-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 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate. Following Lipinski's Rule of Five, 4,7-dimethyl-2-oxo-2H-chromen-5-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 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate?
The CAS number of 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate is 858756-75-9.
What is the molecular formula of 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate?
The molecular formula of 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate is C19H23NO6.
What is the molecular weight of 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate?
The molecular weight of 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate is 361.15 g/mol.
Where can I buy 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate?
You can request a quote for 4,7-dimethyl-2-oxo-2H-chromen-5-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 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for 4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.