Imatinib Impurity 46
TL;DR: Imatinib Impurity 46 (CAS 1131605-15-6) is a chemical compound with molecular formula C9H12N6O2 and molecular weight 236.10217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(diaminomethylidene)-2-(2-methyl-5-nitrophenyl)guanidine
Also Known As: Imatinib Impurity 46, Imatinib Impurity 24, 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride, N-(2-methyl-5-nitrophenyl)imidodicarbonimidic diamide, 1-(diaminomethylidene)-2-(2-methyl-5-nitrophenyl)guanidine
Technical Specifications
| Molecular Formula | C9H12N6O2 |
| Molecular Weight | 236.10217 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.10217 Da |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(N)N=C(N)N |
| InChIKey | HCVJMFONRZHXPR-UHFFFAOYSA-N |
Chemical Property Profile of Imatinib Impurity 46
Property Insights of Imatinib Impurity 46
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imatinib Impurity 46. The TPSA of 149.0 Ų indicates high polarity, suggesting Imatinib Impurity 46 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Imatinib Impurity 46 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Imatinib Impurity 46?
The CAS number of Imatinib Impurity 46 is 1131605-15-6.
What is the molecular formula of Imatinib Impurity 46?
The molecular formula of Imatinib Impurity 46 is C9H12N6O2.
What is the molecular weight of Imatinib Impurity 46?
The molecular weight of Imatinib Impurity 46 is 236.10217 g/mol.
Where can I buy Imatinib Impurity 46?
You can request a quote for Imatinib Impurity 46 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Imatinib Impurity 46?
Yes, CoreyChem provides custom synthesis services for Imatinib Impurity 46 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.