![methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate structure](/static/products/859/859108-84-2.png)
methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate
TL;DR: methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate (CAS 859108-84-2) is a chemical compound with molecular formula C28H25NO5 and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(7-benzyl-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-yl)benzoate
Also Known As: methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate, methyl 4-(7-benzyl-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-yl)benzoate, methyl 4-(7-benzyl-6,10-dimethyl-8-oxo-2H,8H-chromeno[6,7-e][1,3]oxazin-3(4H)-yl)benzoate
| Molecular Formula | C28H25NO5 |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 5.14374 |
| Topological Polar Surface Area | 68.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.17328 |
| Heavy Atoms | 34 |
| Complexity | 1438.3835 |
Chemical Identifiers
| CAS Number | 859108-84-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C3CN(COC3=C2C)C4=CC=C(C=C4)C(=O)OC)CC5=CC=CC=C5 |
Product Overview
methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate (CAS 859108-84-2), with molecular formula C28H25NO5 and molecular weight 455.17 g/mol. IUPAC: methyl 4-(7-benzyl-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-yl)benzoate.
Chemical Property Profile of methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate
Property Insights of methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate
The XLogP value of 5.14374 indicates that methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.98 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate?
The CAS number of methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate is 859108-84-2.
What is the molecular formula of methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate?
The molecular formula of methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate is C28H25NO5.
What is the molecular weight of methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate?
The molecular weight of methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate is 455.17 g/mol.
Where can I buy methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate?
You can request a quote for methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(7-benzyl-6,10-dimethyl-8-oxochromeno[6,7-e][1,3]oxazin-3(2H,4H,8H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.