NCX 1020
TL;DR: NCX 1020 (CAS 571186-52-2) is a chemical compound with molecular formula C33H39NO10 and molecular weight 609.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 4-(nitrooxymethyl)benzoate
Also Known As: NCX 1020, TPI 1020, (11beta,16alpha)-16,17-[Butylidenebis(oxy)]-11-hydroxy-21-[[4-[(nitrooxy)methyl]benzoyl]oxy]pregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-[[4-[(nitrooxy)methyl]benzoyl]oxy]-, (11beta,16alpha)-
| Molecular Formula | C33H39NO10 |
|---|---|
| Molecular Weight | 609.26 g/mol |
| LogP | 4.2898 |
| Topological Polar Surface Area | 151.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 609.2574 |
| Heavy Atoms | 44 |
| Complexity | 1419.7435 |
Chemical Identifiers
| CAS Number | 571186-52-2 |
|---|---|
| SMILES | CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)C6=CC=C(C=C6)CO[N+](=O)[O-])C)O)C |
Product Overview
NCX 1020 (CAS 571186-52-2), with molecular formula C33H39NO10 and molecular weight 609.26 g/mol. IUPAC: [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 4-(nitrooxymethyl)benzoate.
Chemical Property Profile of NCX 1020
Property Insights of NCX 1020
The XLogP value of 4.2898 indicates that NCX 1020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.5 Ų indicates high polarity, suggesting NCX 1020 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCX 1020 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCX 1020?
The CAS number of NCX 1020 is 571186-52-2.
What is the molecular formula of NCX 1020?
The molecular formula of NCX 1020 is C33H39NO10.
What is the molecular weight of NCX 1020?
The molecular weight of NCX 1020 is 609.26 g/mol.
Where can I buy NCX 1020?
You can request a quote for NCX 1020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCX 1020?
Yes, KEHONG BIO provides custom synthesis services for NCX 1020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.