3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose
TL;DR: 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose (CAS 81428-46-8) 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,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]urea
Also Known As: CNUA, 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose, 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxy-D-allose, 3-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-3-deoxy-D-allose, 1-(2-chloroethyl)-1-nitroso-3-[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]urea
| Molecular Formula | C9H16ClN3O7 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0677 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 81428-46-8 |
|---|---|
| SMILES | C(CCl)N(C(=O)NC1[C@@H](C(O[C@H](C1O)O)CO)O)N=O |
| InChIKey | ZKTZGYZXXCOLPV-UKPHHSARSA-N |
Product Overview
3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose (CAS 81428-46-8), with molecular formula C9H16ClN3O7 and molecular weight 313.07 g/mol. IUPAC: 1-(2-chloroethyl)-1-nitroso-3-[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]urea.
Chemical Property Profile of 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose
Property Insights of 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose
The XLogP value of -0.7 indicates that 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose 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-nitrosoureido)-3-deoxyallose?
The CAS number of 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose is 81428-46-8.
What is the molecular formula of 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose?
The molecular formula of 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose is C9H16ClN3O7.
What is the molecular weight of 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose?
The molecular weight of 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose is 313.07 g/mol.
Where can I buy 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose?
You can request a quote for 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose 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-nitrosoureido)-3-deoxyallose?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.