J3.435.827C
TL;DR: J3.435.827C (CAS 116719-49-4) is a chemical compound with molecular formula C15H8FN5O4 and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7'-amino-5-fluoro-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
Also Known As: J3.435.827C, Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carbonitrile, 1,1',2,2',3',4'-hexahydro-7'-amino-5-fluoro-2,2',4'-trioxo-, 2,4,2 -Trioxo-7-amino-5 -fluoro-2,3-dihydrospiro[4H-pyrano[2,3-d]pyrimidine-5(1H),3 (2 H)-[1H]indole]-6-carbonitrile, 7'-Amino-5-fluoro-2,2',4'-trihydroxyspiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile, 7'-amino-5-fluoro-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[3h-indole-3,5'-[5h]pyrano[2,3-d]pyrimidine]-6'-carbonitrile
| Molecular Formula | C15H8FN5O4 |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | -0.47322 |
| Topological Polar Surface Area | 153.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 341.05603 |
| Heavy Atoms | 25 |
| Complexity | 1155.7324 |
Chemical Identifiers
| CAS Number | 116719-49-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C3(C(=C(OC4=C3C(=O)NC(=O)N4)N)C#N)C(=O)N2 |
Product Overview
J3.435.827C (CAS 116719-49-4), with molecular formula C15H8FN5O4 and molecular weight 341.06 g/mol. IUPAC: 7'-amino-5-fluoro-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile.
Chemical Property Profile of J3.435.827C
Property Insights of J3.435.827C
The XLogP value of -0.47322 indicates that J3.435.827C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.86 Ų indicates high polarity, suggesting J3.435.827C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J3.435.827C has 4 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 J3.435.827C?
The CAS number of J3.435.827C is 116719-49-4.
What is the molecular formula of J3.435.827C?
The molecular formula of J3.435.827C is C15H8FN5O4.
What is the molecular weight of J3.435.827C?
The molecular weight of J3.435.827C is 341.06 g/mol.
Where can I buy J3.435.827C?
You can request a quote for J3.435.827C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.435.827C?
Yes, KEHONG BIO provides custom synthesis services for J3.435.827C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.