![(E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid structure](/static/products/896/896599-20-5.png)
(E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid
TL;DR: (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 896599-20-5) is a chemical compound with molecular formula C19H13N3O5 and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-(7-imino-2-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid, 3-[5-[(E)-(7-imino-2-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid, 3-{5-[(E)-(7-iminio-2-methyl-5-oxo-5H-[1,2]oxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate
| Molecular Formula | C19H13N3O5 |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 3.09517 |
| Topological Polar Surface Area | 116.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.0855 |
| Heavy Atoms | 27 |
| Complexity | 1090.2697 |
Chemical Identifiers
| CAS Number | 896599-20-5 |
|---|---|
| SMILES | CC1=CC2=NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/C(=N)N2O1 |
Product Overview
(E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 896599-20-5), with molecular formula C19H13N3O5 and molecular weight 363.09 g/mol. IUPAC: 3-[5-[(E)-(7-imino-2-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid
Property Insights of (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid
The XLogP value of 3.09517 indicates that (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid has 2 hydrogen bond donor(s) and 5 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)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid?
The CAS number of (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid is 896599-20-5.
What is the molecular formula of (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular formula of (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid is C19H13N3O5.
What is the molecular weight of (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular weight of (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid is 363.09 g/mol.
Where can I buy (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid?
You can request a quote for (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-((7-imino-2-methyl-5-oxo-5H-isoxazolo[2,3-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.