![ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate structure](/static/products/904/904499-88-3.png)
ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate
TL;DR: ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate (CAS 904499-88-3) is a chemical compound with molecular formula C23H27N3O5 and molecular weight 425.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[9-(3-imidazol-1-ylpropyl)-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]propanoate
Also Known As: ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate, ethyl 3-[9-(3-imidazol-1-ylpropyl)-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]propanoate, ethyl 3-{9-[3-(1H-imidazol-1-yl)propyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-3-yl}propanoate
| Molecular Formula | C23H27N3O5 |
|---|---|
| Molecular Weight | 425.20 g/mol |
| LogP | 3.03582 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.19507 |
| Heavy Atoms | 31 |
| Complexity | 1120.4326 |
Chemical Identifiers
| CAS Number | 904499-88-3 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=C(C3=C(C=C2)OCN(C3)CCCN4C=CN=C4)OC1=O)C |
Product Overview
ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate (CAS 904499-88-3), with molecular formula C23H27N3O5 and molecular weight 425.20 g/mol. IUPAC: ethyl 3-[9-(3-imidazol-1-ylpropyl)-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]propanoate.
Chemical Property Profile of ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate
Property Insights of ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate
The XLogP value of 3.03582 indicates that ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate. Following Lipinski's Rule of Five, ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate has 0 hydrogen bond donor(s) and 7 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 ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate?
The CAS number of ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate is 904499-88-3.
What is the molecular formula of ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate?
The molecular formula of ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate is C23H27N3O5.
What is the molecular weight of ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate?
The molecular weight of ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate is 425.20 g/mol.
Where can I buy ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate?
You can request a quote for ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(9-(3-(1H-imidazol-1-yl)propyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.