NCI60_039848
TL;DR: NCI60_039848 (CAS 224645-86-7) is a chemical compound with molecular formula C21H26Cl3NO6 and molecular weight 493.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate
Also Known As: NCI60_039848, 1-(1,1-Dimethylethyl) 2-(2,2,2-trichloroethyl) (2S,4S)-4-[2-oxo-2-(phenylmethoxy)ethyl]-1,2-pyrrolidinedicarboxylate, 1-O-tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate
| Molecular Formula | C21H26Cl3NO6 |
|---|---|
| Molecular Weight | 493.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 493.08258 |
| Heavy Atoms | 31 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 224645-86-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OCC(Cl)(Cl)Cl)CC(=O)OCC2=CC=CC=C2 |
| InChIKey | GSQDPRPGTHUAPW-HOTGVXAUSA-N |
Product Overview
NCI60_039848 (CAS 224645-86-7), with molecular formula C21H26Cl3NO6 and molecular weight 493.08 g/mol. IUPAC: 1-O-tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate.
Chemical Property Profile of NCI60_039848
Property Insights of NCI60_039848
The XLogP value of 4.6 indicates that NCI60_039848 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_039848. Following Lipinski's Rule of Five, NCI60_039848 has 0 hydrogen bond donor(s) and 6 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_039848?
The CAS number of NCI60_039848 is 224645-86-7.
What is the molecular formula of NCI60_039848?
The molecular formula of NCI60_039848 is C21H26Cl3NO6.
What is the molecular weight of NCI60_039848?
The molecular weight of NCI60_039848 is 493.08 g/mol.
Where can I buy NCI60_039848?
You can request a quote for NCI60_039848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_039848?
Yes, KEHONG BIO provides custom synthesis services for NCI60_039848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.