BAS 12522267
TL;DR: BAS 12522267 (CAS 872839-70-8) is a chemical compound with molecular formula C18H18FN5O4 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-(4-fluorophenyl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate
Also Known As: BAS 12522267, UPCMLD0ENAT5732464:001, F2000-0403, ethyl 2-(8-(4-fluorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-1H-imidazo[2,1-f]purin-3(2H,4H,6H)-yl)acetate, ethyl 2-[6-(4-fluorophenyl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate
| Molecular Formula | C18H18FN5O4 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 0.7506 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.13428 |
| Heavy Atoms | 28 |
| Complexity | 1191.882 |
Chemical Identifiers
| CAS Number | 872839-70-8 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)F)N(C1=O)C |
Product Overview
BAS 12522267 (CAS 872839-70-8), with molecular formula C18H18FN5O4 and molecular weight 387.13 g/mol. IUPAC: ethyl 2-[6-(4-fluorophenyl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate.
Chemical Property Profile of BAS 12522267
Property Insights of BAS 12522267
The XLogP value of 0.7506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12522267. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12522267. Following Lipinski's Rule of Five, BAS 12522267 has 0 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 BAS 12522267?
The CAS number of BAS 12522267 is 872839-70-8.
What is the molecular formula of BAS 12522267?
The molecular formula of BAS 12522267 is C18H18FN5O4.
What is the molecular weight of BAS 12522267?
The molecular weight of BAS 12522267 is 387.13 g/mol.
Where can I buy BAS 12522267?
You can request a quote for BAS 12522267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12522267?
Yes, KEHONG BIO provides custom synthesis services for BAS 12522267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.