![(E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate structure](/static/products/896/896834-44-9.png)
(E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate
TL;DR: (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate (CAS 896834-44-9) is a chemical compound with molecular formula C20H15N3O5 and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-[(E)-(7-imino-2-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate
Also Known As: (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate, methyl 3-[5-[(E)-(7-imino-2-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate, methyl 3-{5-[(E)-(7-imino-2-methyl-5-oxo-5H-[1,2]oxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate
| Molecular Formula | C20H15N3O5 |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 3.18357 |
| Topological Polar Surface Area | 105.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.10117 |
| Heavy Atoms | 28 |
| Complexity | 1106.5493 |
Chemical Identifiers
| CAS Number | 896834-44-9 |
|---|---|
| SMILES | CC1=CC2=NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)OC)/C(=N)N2O1 |
Product Overview
(E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate (CAS 896834-44-9), with molecular formula C20H15N3O5 and molecular weight 377.10 g/mol. IUPAC: methyl 3-[5-[(E)-(7-imino-2-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate.
Chemical Property Profile of (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate
Property Insights of (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 3.18357 indicates that (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate 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 (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
The CAS number of (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is 896834-44-9.
What is the molecular formula of (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular formula of (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is C20H15N3O5.
What is the molecular weight of (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular weight of (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate is 377.10 g/mol.
Where can I buy (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
You can request a quote for (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.