NCI60_004049
TL;DR: NCI60_004049 (CAS 1993-23-3) is a chemical compound with molecular formula C25H31F3O5 and molecular weight 468.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S)-16-(1-acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: NCI60_004049, [(3S,8R,9S,10R,13S,14S)-16-(1-acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C25H31F3O5 |
|---|---|
| Molecular Weight | 468.21 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.21237 |
| Heavy Atoms | 33 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 1993-23-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC(=C(C(F)(F)F)OC(=O)C)C4=O)C)C |
| InChIKey | NBJBKSDSMJNQOA-VHKPHLOKSA-N |
Product Overview
NCI60_004049 (CAS 1993-23-3), with molecular formula C25H31F3O5 and molecular weight 468.21 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S)-16-(1-acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of NCI60_004049
Property Insights of NCI60_004049
The XLogP value of 4.5 indicates that NCI60_004049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_004049. Following Lipinski's Rule of Five, NCI60_004049 has 0 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 NCI60_004049?
The CAS number of NCI60_004049 is 1993-23-3.
What is the molecular formula of NCI60_004049?
The molecular formula of NCI60_004049 is C25H31F3O5.
What is the molecular weight of NCI60_004049?
The molecular weight of NCI60_004049 is 468.21 g/mol.
Where can I buy NCI60_004049?
You can request a quote for NCI60_004049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_004049?
Yes, KEHONG BIO provides custom synthesis services for NCI60_004049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.