UPCMLD0ENAT5949491:001
TL;DR: UPCMLD0ENAT5949491:001 (CAS 714227-75-5) is a chemical compound with molecular formula C17H19FN6O2 and molecular weight 358.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5949491:001, (8E)-8-[(2E)-(4-fluorobenzylidene)hydrazinylidene]-1,3-dimethyl-7-(propan-2-yl)-3,7,8,9-tetrahydro-1H-purine-2,6-dione, (E)-8-(2-(4-fluorobenzylidene)hydrazinyl)-7-isopropyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione, 8-{[(1E)-2-(4-fluorophenyl)-1-azavinyl]amino}-1,3-dimethyl-7-(methylethyl)-1,3 ,7-trihydropurine-2,6-dione
| Molecular Formula | C17H19FN6O2 |
|---|---|
| Molecular Weight | 358.16 g/mol |
| LogP | 1.5997 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.15536 |
| Heavy Atoms | 26 |
| Complexity | 1105.4591 |
Chemical Identifiers
| CAS Number | 714227-75-5 |
|---|---|
| SMILES | CC(C)N1C2=C(N=C1N/N=C/C3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C |
Product Overview
UPCMLD0ENAT5949491:001 (CAS 714227-75-5), with molecular formula C17H19FN6O2 and molecular weight 358.16 g/mol. IUPAC: 8-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5949491:001
Property Insights of UPCMLD0ENAT5949491:001
The XLogP value of 1.5997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5949491:001. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5949491:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5949491:001 has 1 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 UPCMLD0ENAT5949491:001?
The CAS number of UPCMLD0ENAT5949491:001 is 714227-75-5.
What is the molecular formula of UPCMLD0ENAT5949491:001?
The molecular formula of UPCMLD0ENAT5949491:001 is C17H19FN6O2.
What is the molecular weight of UPCMLD0ENAT5949491:001?
The molecular weight of UPCMLD0ENAT5949491:001 is 358.16 g/mol.
Where can I buy UPCMLD0ENAT5949491:001?
You can request a quote for UPCMLD0ENAT5949491:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5949491:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5949491:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.