Bofumustine
TL;DR: Bofumustine (CAS 55102-44-8) is a chemical compound with molecular formula C18H21ClN4O9 and molecular weight 472.0997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3aR,6R,6aR)-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate
Also Known As: Bofumustine, Rfcnu, Bofumustina, Bofumustinum, Bofumustine [INN]
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H21ClN4O9 |
| Molecular Weight | 472.0997 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.0997 Da |
| Heavy Atoms | 32 |
| Complexity | 726.0 |
| SMILES | CC1(O[C@@H]2[C@H](OC([C@@H]2O1)NC(=O)N(CCCl)N=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C |
| InChIKey | YASNUXZKZNVXIS-CBNXCZCTSA-N |
Chemical Property Profile of Bofumustine
Property Insights of Bofumustine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bofumustine. The TPSA of 162.0 Ų indicates high polarity, suggesting Bofumustine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bofumustine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bofumustine?
The CAS number of Bofumustine is 55102-44-8.
What is the molecular formula of Bofumustine?
The molecular formula of Bofumustine is C18H21ClN4O9.
What is the molecular weight of Bofumustine?
The molecular weight of Bofumustine is 472.0997 g/mol.
Where can I buy Bofumustine?
You can request a quote for Bofumustine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bofumustine?
Yes, CoreyChem provides custom synthesis services for Bofumustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.