![methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate structure](/static/products/853/853894-47-0.png)
methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate
TL;DR: methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate (CAS 853894-47-0) is a chemical compound with molecular formula C23H22FNO5 and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(4-fluorophenyl)methyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-7-yl]acetate
Also Known As: methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate, methyl [3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-7-yl]acetate, methyl 2-[3-[(4-fluorophenyl)methyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-7-yl]acetate, METHYL 2-{3-[(4-FLUOROPHENYL)METHYL]-6,10-DIMETHYL-8-OXO-2H,3H,4H,8H-CHROMENO[6,7-E][1,3]OXAZIN-7-YL}ACETATE, methyl 2-{3-[(4-fluorophenyl)methyl]-6,10-dimethyl-8-oxo-2H,4H-chromeno[6,7-e] 1,3-oxazin-7-yl}acetate
| Molecular Formula | C23H22FNO5 |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 3.61654 |
| Topological Polar Surface Area | 68.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1482 |
| Heavy Atoms | 30 |
| Complexity | 1183.1482 |
Chemical Identifiers
| CAS Number | 853894-47-0 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C3CN(COC3=C2C)CC4=CC=C(C=C4)F)CC(=O)OC |
Product Overview
methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate (CAS 853894-47-0), with molecular formula C23H22FNO5 and molecular weight 411.15 g/mol. IUPAC: methyl 2-[3-[(4-fluorophenyl)methyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-7-yl]acetate.
Chemical Property Profile of methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate
Property Insights of methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate
The XLogP value of 3.61654 indicates that methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate 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 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate has 0 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 methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate?
The CAS number of methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate is 853894-47-0.
What is the molecular formula of methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate?
The molecular formula of methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate is C23H22FNO5.
What is the molecular weight of methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate?
The molecular weight of methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate is 411.15 g/mol.
Where can I buy methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate?
You can request a quote for methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(4-fluorobenzyl)-6,10-dimethyl-8-oxo-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.