BAS 12524126
TL;DR: BAS 12524126 (CAS 876902-17-9) is a chemical compound with molecular formula C18H17ClFN5O2 and molecular weight 389.11 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-ethyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12524126, 2-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 3-[(6-chloro-2-fluorophenyl)methyl]-8-ethyl-1,7-dimethyl-1,3,5-trihydro-4-imid azolino[1,2-h]purine-2,4-dione
| Molecular Formula | C18H17ClFN5O2 |
|---|---|
| Molecular Weight | 389.11 g/mol |
| LogP | 2.31852 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.10547 |
| Heavy Atoms | 27 |
| Complexity | 1307.7512 |
Chemical Identifiers
| CAS Number | 876902-17-9 |
|---|---|
| SMILES | CCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=C(C=CC=C4Cl)F)C |
Product Overview
BAS 12524126 (CAS 876902-17-9), with molecular formula C18H17ClFN5O2 and molecular weight 389.11 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12524126
Property Insights of BAS 12524126
The XLogP value of 2.31852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12524126. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12524126. Following Lipinski's Rule of Five, BAS 12524126 has 0 hydrogen bond donor(s) and 3 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 12524126?
The CAS number of BAS 12524126 is 876902-17-9.
What is the molecular formula of BAS 12524126?
The molecular formula of BAS 12524126 is C18H17ClFN5O2.
What is the molecular weight of BAS 12524126?
The molecular weight of BAS 12524126 is 389.11 g/mol.
Where can I buy BAS 12524126?
You can request a quote for BAS 12524126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12524126?
Yes, KEHONG BIO provides custom synthesis services for BAS 12524126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.