![3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate structure](/static/products/858/858748-61-5.png)
3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
TL;DR: 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate (CAS 858748-61-5) is a chemical compound with molecular formula C28H25NO6 and molecular weight 471.17 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-(phenylmethoxycarbonylamino)propanoate
Also Known As: EiM07-19797, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate, (3-benzyl-4-methyl-2-oxo-chromen-7-yl) 3-phenylmethoxycarbonylaminopropanoate, (3-benzyl-4-methyl-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate
| Molecular Formula | C28H25NO6 |
|---|---|
| Molecular Weight | 471.17 g/mol |
| LogP | 4.91412 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.16818 |
| Heavy Atoms | 35 |
| Complexity | 1379.4944 |
Chemical Identifiers
| CAS Number | 858748-61-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCNC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate (CAS 858748-61-5), with molecular formula C28H25NO6 and molecular weight 471.17 g/mol. IUPAC: (3-benzyl-4-methyl-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Property Insights of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
The XLogP value of 4.91412 indicates that 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-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-[(benzyloxy)carbonyl]-beta-alaninate. Following Lipinski's Rule of Five, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-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-[(benzyloxy)carbonyl]-beta-alaninate?
The CAS number of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate is 858748-61-5.
What is the molecular formula of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate?
The molecular formula of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate is C28H25NO6.
What is the molecular weight of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate?
The molecular weight of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate is 471.17 g/mol.
Where can I buy 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate?
You can request a quote for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-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-[(benzyloxy)carbonyl]-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.