N-Desmethyl Imatinib
TL;DR: N-Desmethyl Imatinib (CAS 87233-54-3) is a chemical compound with molecular formula C28H29N7O and molecular weight 479.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide
Also Known As: N-Desmethyl Imatinib, N-Desmethylimatinib, Norimatinib, N Desmethyl imatinib, Imatinib EP Impurity C
| Molecular Formula | C28H29N7O |
|---|---|
| Molecular Weight | 479.24 g/mol |
| LogP | 4.24812 |
| Topological Polar Surface Area | 95.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.24335 |
| Heavy Atoms | 36 |
| Complexity | 1319.5717 |
Chemical Identifiers
| CAS Number | 87233-54-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC=C5 |
Product Overview
N-Desmethyl Imatinib (CAS 87233-54-3), with molecular formula C28H29N7O and molecular weight 479.24 g/mol. IUPAC: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide.
Chemical Property Profile of N-Desmethyl Imatinib
Property Insights of N-Desmethyl Imatinib
The XLogP value of 4.24812 indicates that N-Desmethyl Imatinib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.07 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desmethyl Imatinib. Following Lipinski's Rule of Five, N-Desmethyl Imatinib has 3 hydrogen bond donor(s) and 7 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 N-Desmethyl Imatinib?
The CAS number of N-Desmethyl Imatinib is 87233-54-3.
What is the molecular formula of N-Desmethyl Imatinib?
The molecular formula of N-Desmethyl Imatinib is C28H29N7O.
What is the molecular weight of N-Desmethyl Imatinib?
The molecular weight of N-Desmethyl Imatinib is 479.24 g/mol.
Where can I buy N-Desmethyl Imatinib?
You can request a quote for N-Desmethyl Imatinib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyl Imatinib?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyl Imatinib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.