NCX 2216
TL;DR: NCX 2216 (CAS 302543-79-9) is a chemical compound with molecular formula C29H28FNO8 and molecular weight 537.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 2-(3-fluoro-4-phenylphenyl)propanoate
Also Known As: NCX 2216, J1.385.437H, [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-alpha-methyl-, 2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl ester, 2-FLUORO-alpha-METHYL-2-METHOXY-4-[(1E)-3-[4-(NITROOXY)BUTOXY]-3, [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 2-(3-fluoro-4-phenylphenyl)propanoate
| Molecular Formula | C29H28FNO8 |
|---|---|
| Molecular Weight | 537.18 g/mol |
| LogP | 5.7553 |
| Topological Polar Surface Area | 114.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 537.1799 |
| Heavy Atoms | 39 |
| Complexity | 1326.1178 |
Chemical Identifiers
| CAS Number | 302543-79-9 |
|---|---|
| SMILES | CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC3=C(C=C(C=C3)/C=C/C(=O)OCCCCO[N+](=O)[O-])OC |
Product Overview
NCX 2216 (CAS 302543-79-9), with molecular formula C29H28FNO8 and molecular weight 537.18 g/mol. IUPAC: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 2-(3-fluoro-4-phenylphenyl)propanoate.
Chemical Property Profile of NCX 2216
Property Insights of NCX 2216
The XLogP value of 5.7553 indicates that NCX 2216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.2 Ų falls within the moderate polarity range, balancing permeability and solubility for NCX 2216. Following Lipinski's Rule of Five, NCX 2216 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCX 2216?
The CAS number of NCX 2216 is 302543-79-9.
What is the molecular formula of NCX 2216?
The molecular formula of NCX 2216 is C29H28FNO8.
What is the molecular weight of NCX 2216?
The molecular weight of NCX 2216 is 537.18 g/mol.
Where can I buy NCX 2216?
You can request a quote for NCX 2216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCX 2216?
Yes, KEHONG BIO provides custom synthesis services for NCX 2216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.