BAS 12522188
TL;DR: BAS 12522188 (CAS 872838-61-4) is a chemical compound with molecular formula C20H17ClFN5O3 and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12522188, UPCMLD0ENAT5732498:001, 3-(2-chloro-6-fluorobenzyl)-8-(furan-2-ylmethyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione, F2000-0182, 2-[(2-chloro-6-fluorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C20H17ClFN5O3 |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 2.3507 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.1004 |
| Heavy Atoms | 30 |
| Complexity | 1366.1906 |
Chemical Identifiers
| CAS Number | 872838-61-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=C(C=CC=C3Cl)F)N4CCN(C4=N2)CC5=CC=CO5 |
Product Overview
BAS 12522188 (CAS 872838-61-4), with molecular formula C20H17ClFN5O3 and molecular weight 429.10 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methyl]-6-(furan-2-ylmethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12522188
Property Insights of BAS 12522188
The XLogP value of 2.3507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12522188. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12522188. Following Lipinski's Rule of Five, BAS 12522188 has 0 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 BAS 12522188?
The CAS number of BAS 12522188 is 872838-61-4.
What is the molecular formula of BAS 12522188?
The molecular formula of BAS 12522188 is C20H17ClFN5O3.
What is the molecular weight of BAS 12522188?
The molecular weight of BAS 12522188 is 429.10 g/mol.
Where can I buy BAS 12522188?
You can request a quote for BAS 12522188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12522188?
Yes, KEHONG BIO provides custom synthesis services for BAS 12522188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.