Nimustine Hydrochloride
TL;DR: Nimustine Hydrochloride (CAS 55661-38-6) is a chemical compound with molecular formula C9H14Cl2N6O2 and molecular weight 308.05554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea;hydrochloride
Also Known As: Nimustine hydrochloride, Nimustine HCl, ACNU, Nidran, Nidran hydrochloride
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14Cl2N6O2 |
| Molecular Weight | 308.05554 g/mol |
| XLogP | 1.22 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.05554 Da |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
| SMILES | CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O.Cl |
| InChIKey | KPMKNHGAPDCYLP-UHFFFAOYSA-N |
Chemical Property Profile of Nimustine Hydrochloride
Property Insights of Nimustine Hydrochloride
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nimustine Hydrochloride. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nimustine Hydrochloride. Following Lipinski's Rule of Five, Nimustine Hydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nimustine Hydrochloride?
The CAS number of Nimustine Hydrochloride is 55661-38-6.
What is the molecular formula of Nimustine Hydrochloride?
The molecular formula of Nimustine Hydrochloride is C9H14Cl2N6O2.
What is the molecular weight of Nimustine Hydrochloride?
The molecular weight of Nimustine Hydrochloride is 308.05554 g/mol.
Where can I buy Nimustine Hydrochloride?
You can request a quote for Nimustine Hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nimustine Hydrochloride?
Yes, CoreyChem provides custom synthesis services for Nimustine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.