NCI60_022449
TL;DR: NCI60_022449 (CAS 70265-22-4) is a chemical compound with molecular formula C6H5Cl3N2O3 and molecular weight 257.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-oxazolidine
Also Known As: NCI60_022449, 2-(2,3,3-TRICHLORO-1-NITRO-ALLYLIDENE)-OXAZOLIDINE, 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-oxazolidine, 2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,3-oxazolidine
| Molecular Formula | C6H5Cl3N2O3 |
|---|---|
| Molecular Weight | 257.94 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.93658 |
| Heavy Atoms | 14 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 70265-22-4 |
|---|---|
| SMILES | C1COC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1 |
| InChIKey | SDLVBNSECJGOHA-UHFFFAOYSA-N |
Product Overview
NCI60_022449 (CAS 70265-22-4), with molecular formula C6H5Cl3N2O3 and molecular weight 257.94 g/mol. IUPAC: 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-oxazolidine.
Chemical Property Profile of NCI60_022449
Property Insights of NCI60_022449
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_022449. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_022449. Following Lipinski's Rule of Five, NCI60_022449 has 1 hydrogen bond donor(s) and 4 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 NCI60_022449?
The CAS number of NCI60_022449 is 70265-22-4.
What is the molecular formula of NCI60_022449?
The molecular formula of NCI60_022449 is C6H5Cl3N2O3.
What is the molecular weight of NCI60_022449?
The molecular weight of NCI60_022449 is 257.94 g/mol.
Where can I buy NCI60_022449?
You can request a quote for NCI60_022449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_022449?
Yes, KEHONG BIO provides custom synthesis services for NCI60_022449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.