3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose
TL;DR: 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose (CAS 73237-82-8) is a chemical compound with molecular formula C9H16ClN3O7 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-1-nitroso-3-[(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]urea
Also Known As: KCNU, CNUG, NSC 319735D, D-Glucose, 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose
| Molecular Formula | C9H16ClN3O7 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.0677 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 73237-82-8 |
|---|---|
| SMILES | C(CCl)N(C(=O)N[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O)N=O |
| InChIKey | IMJRVRXAQMLTQC-LXGUWJNJSA-N |
Product Overview
3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose (CAS 73237-82-8), with molecular formula C9H16ClN3O7 and molecular weight 313.07 g/mol. IUPAC: 1-(2-chloroethyl)-1-nitroso-3-[(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]urea.
Chemical Property Profile of 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose
Property Insights of 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose
The XLogP value of -2.6 indicates that 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose?
The CAS number of 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose is 73237-82-8.
What is the molecular formula of 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose?
The molecular formula of 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose is C9H16ClN3O7.
What is the molecular weight of 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose?
The molecular weight of 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose is 313.07 g/mol.
Where can I buy 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose?
You can request a quote for 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(2-Chloroethyl)-3-nitrosourea)-3-deoxyglucopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.