Nisterime acetate
TL;DR: Nisterime acetate (CAS 51354-31-5) is a chemical compound with molecular formula C27H35ClN2O5 and molecular weight 502.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Nisterime acetate, Nisterime acetate [USAN], ORF 9326, 17-beta-Acetoxy-2-alpha-chloro-3-(p-nitrophenoxy)imino-5-androstane, 17beta-Acetyloxy-2alpha-chloro-5alpha-androstan-3-one O-(p-nitrophenyl)oxime
| Molecular Formula | C27H35ClN2O5 |
|---|---|
| Molecular Weight | 502.22 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.22345 |
| Heavy Atoms | 35 |
| Complexity | 868.0 |
Chemical Identifiers
| CAS Number | 51354-31-5 |
|---|---|
| SMILES | CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(C(=NOC5=CC=C(C=C5)[N+](=O)[O-])C4)Cl)C)C |
| InChIKey | NNFGKFKPLQYECP-UHFFFAOYSA-N |
Product Overview
Nisterime acetate (CAS 51354-31-5), with molecular formula C27H35ClN2O5 and molecular weight 502.22 g/mol. IUPAC: [2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Nisterime acetate
Property Insights of Nisterime acetate
The XLogP value of 7.0 indicates that Nisterime acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Nisterime acetate. Following Lipinski's Rule of Five, Nisterime acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nisterime acetate?
The CAS number of Nisterime acetate is 51354-31-5.
What is the molecular formula of Nisterime acetate?
The molecular formula of Nisterime acetate is C27H35ClN2O5.
What is the molecular weight of Nisterime acetate?
The molecular weight of Nisterime acetate is 502.22 g/mol.
Where can I buy Nisterime acetate?
You can request a quote for Nisterime acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nisterime acetate?
Yes, KEHONG BIO provides custom synthesis services for Nisterime acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.