erlotinib HCl
TL;DR: erlotinib HCl (CAS 151867-81-1) is a chemical compound with molecular formula C35H38N2O5 and molecular weight 566.2781 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazepan-2-one
Also Known As: erlotinib HCl, 1mes, Dmp 323, JCR 424; XM 323, XM 323
Technical Specifications
| Molecular Formula | C35H38N2O5 |
| Molecular Weight | 566.2781 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.2781 Da |
| Heavy Atoms | 42 |
| Complexity | 735.0 |
| SMILES | C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CC3=CC=C(C=C3)CO)CC4=CC=C(C=C4)CO)CC5=CC=CC=C5)O)O |
| InChIKey | XCVGQMUMMDXKCY-UHFFFAOYSA-N |
Chemical Property Profile of erlotinib HCl
Property Insights of erlotinib HCl
The XLogP value of 3.5 indicates that erlotinib HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for erlotinib HCl. Following Lipinski's Rule of Five, erlotinib HCl has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of erlotinib HCl?
The CAS number of erlotinib HCl is 151867-81-1.
What is the molecular formula of erlotinib HCl?
The molecular formula of erlotinib HCl is C35H38N2O5.
What is the molecular weight of erlotinib HCl?
The molecular weight of erlotinib HCl is 566.2781 g/mol.
Where can I buy erlotinib HCl?
You can request a quote for erlotinib HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for erlotinib HCl?
Yes, CoreyChem provides custom synthesis services for erlotinib HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.