RefChem:1091021
TL;DR: RefChem:1091021 (CAS 58484-20-1) is a chemical compound with molecular formula C9H16ClN3O7 and molecular weight 313.0677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-1-nitroso-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea
Also Known As: KST-1B6105, 1-(2-chloroethyl)-1-nitroso-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea, Replaced CAS registry number(s): 59092-02-3, scyllo-Inositol, 1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-1-deoxy-, 1-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-1-deoxy-scyllo-inositol
Technical Specifications
| Molecular Formula | C9H16ClN3O7 |
| Molecular Weight | 313.0677 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0677 Da |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
| SMILES | C(CCl)N(C(=O)NC1C(C(C(C(C1O)O)O)O)O)N=O |
| InChIKey | DKSKVMFAIUVFEW-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1091021
Property Insights of RefChem:1091021
The XLogP value of -2.8 indicates that RefChem:1091021 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting RefChem:1091021 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1091021 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1091021?
The CAS number of RefChem:1091021 is 58484-20-1.
What is the molecular formula of RefChem:1091021?
The molecular formula of RefChem:1091021 is C9H16ClN3O7.
What is the molecular weight of RefChem:1091021?
The molecular weight of RefChem:1091021 is 313.0677 g/mol.
Where can I buy RefChem:1091021?
You can request a quote for RefChem:1091021 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1091021?
Yes, CoreyChem provides custom synthesis services for RefChem:1091021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.