Ecomustine
TL;DR: Ecomustine (CAS 116724-62-0) is a chemical compound with molecular formula C10H18ClN3O6 and molecular weight 311.0884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-[(2R,3S,4R,6R)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-nitrosourea
Also Known As: Ecomustine, beta-D-arabino-Hexopyranoside, methyl 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2,3-dideoxy-, 1-(2-chloroethyl)-3-[(2R,3S,4R,6R)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-nitrosourea, Methyl 3-{[(2-chloroethyl)(nitroso)carbamoyl]amino}-2,3-dideoxy-beta-D-arabino-hexopyranoside, BRN 6487759
Technical Specifications
| Molecular Formula | C10H18ClN3O6 |
| Molecular Weight | 311.0884 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.0884 Da |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
| SMILES | CO[C@H]1C[C@H]([C@@H]([C@H](O1)CO)O)NC(=O)N(CCCl)N=O |
| InChIKey | YQYBWJPESSJLTK-BGZDPUMWSA-N |
Chemical Property Profile of Ecomustine
Property Insights of Ecomustine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ecomustine. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ecomustine. Following Lipinski's Rule of Five, Ecomustine 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
What is the CAS number of Ecomustine?
The CAS number of Ecomustine is 116724-62-0.
What is the molecular formula of Ecomustine?
The molecular formula of Ecomustine is C10H18ClN3O6.
What is the molecular weight of Ecomustine?
The molecular weight of Ecomustine is 311.0884 g/mol.
Where can I buy Ecomustine?
You can request a quote for Ecomustine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ecomustine?
Yes, CoreyChem provides custom synthesis services for Ecomustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.