ChemDiv3_012265
TL;DR: ChemDiv3_012265 (CAS 872839-26-4) is a chemical compound with molecular formula C17H16FN5O2 and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: ChemDiv3_012265, BAS 12522253, UPCMLD0ENAT5739965:001, 6-(4-fluorophenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, BRD-K54777789-001-01-8
| Molecular Formula | C17H16FN5O2 |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 1.3735 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.1288 |
| Heavy Atoms | 25 |
| Complexity | 1107.2443 |
Chemical Identifiers
| CAS Number | 872839-26-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC=C)N3CCN(C3=N2)C4=CC=C(C=C4)F |
Product Overview
ChemDiv3_012265 (CAS 872839-26-4), with molecular formula C17H16FN5O2 and molecular weight 341.13 g/mol. IUPAC: 6-(4-fluorophenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of ChemDiv3_012265
Property Insights of ChemDiv3_012265
The XLogP value of 1.3735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012265. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012265. Following Lipinski's Rule of Five, ChemDiv3_012265 has 0 hydrogen bond donor(s) and 4 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 ChemDiv3_012265?
The CAS number of ChemDiv3_012265 is 872839-26-4.
What is the molecular formula of ChemDiv3_012265?
The molecular formula of ChemDiv3_012265 is C17H16FN5O2.
What is the molecular weight of ChemDiv3_012265?
The molecular weight of ChemDiv3_012265 is 341.13 g/mol.
Where can I buy ChemDiv3_012265?
You can request a quote for ChemDiv3_012265 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012265?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012265 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.