NCI60_000213
TL;DR: NCI60_000213 (CAS 19459-60-0) is a chemical compound with molecular formula C25H37NO4 and molecular weight 415.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: NCI60_000213, 16-(aziridin-1-yl)-12,20-dioxopregnan-3-yl acetate, 16-(1-aziridinyl)-12,20-dioxopregnan-3-yl acetate, [17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C25H37NO4 |
|---|---|
| Molecular Weight | 415.27 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.27225 |
| Heavy Atoms | 30 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 19459-60-0 |
|---|---|
| SMILES | CC(=O)C1C(CC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)N5CC5 |
| InChIKey | WRCFYFRXAYMSAE-UHFFFAOYSA-N |
Product Overview
NCI60_000213 (CAS 19459-60-0), with molecular formula C25H37NO4 and molecular weight 415.27 g/mol. IUPAC: [17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of NCI60_000213
Property Insights of NCI60_000213
The XLogP value of 3.1 indicates that NCI60_000213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_000213. Following Lipinski's Rule of Five, NCI60_000213 has 0 hydrogen bond donor(s) and 5 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_000213?
The CAS number of NCI60_000213 is 19459-60-0.
What is the molecular formula of NCI60_000213?
The molecular formula of NCI60_000213 is C25H37NO4.
What is the molecular weight of NCI60_000213?
The molecular weight of NCI60_000213 is 415.27 g/mol.
Where can I buy NCI60_000213?
You can request a quote for NCI60_000213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_000213?
Yes, KEHONG BIO provides custom synthesis services for NCI60_000213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.