![methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate structure](/static/products/853/853893-36-4.png)
methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate
TL;DR: methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate (CAS 853893-36-4) is a chemical compound with molecular formula C23H21NO7 and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[9-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]acetate
Also Known As: methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate, methyl [9-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-3-yl]acetate, methyl 2-[9-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]acetate, methyl 2-[9-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-4-methyl-2-oxo-8H,10H-chr omeno[8,7-e]1,3-oxazaperhydroin-3-yl]acetate, METHYL 2-{9-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-4-METHYL-2-OXO-2H,8H,9H,10H-CHROMENO[8,7-E][1,3]OXAZIN-3-YL}ACETATE
| Molecular Formula | C23H21NO7 |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 2.89772 |
| Topological Polar Surface Area | 87.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.1318 |
| Heavy Atoms | 31 |
| Complexity | 1246.884 |
Chemical Identifiers
| CAS Number | 853893-36-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC3=C2CN(CO3)CC4=CC5=C(C=C4)OCO5)CC(=O)OC |
Product Overview
methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate (CAS 853893-36-4), with molecular formula C23H21NO7 and molecular weight 423.13 g/mol. IUPAC: methyl 2-[9-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]acetate.
Chemical Property Profile of methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate
Property Insights of methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate
The XLogP value of 2.89772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate. The TPSA of 87.44 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate has 0 hydrogen bond donor(s) and 8 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-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate?
The CAS number of methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate is 853893-36-4.
What is the molecular formula of methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate?
The molecular formula of methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate is C23H21NO7.
What is the molecular weight of methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate?
The molecular weight of methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate is 423.13 g/mol.
Where can I buy methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate?
You can request a quote for methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-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-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(9-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.