RefChem:574472
TL;DR: RefChem:574472 (CAS 68715-91-3) is a chemical compound with molecular formula C33H49N3O6 and molecular weight 583.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl [4-[2-nitro-4-(octadecanoylamino)anilino]phenyl] carbonate
Also Known As: EINECS 272-107-2, 2-Nitro-4-stearamido-4'-ethoxycarbonyloxydiphenylamine, Carbonic acid, ethyl 4-[[2-nitro-4-[(1-oxooctadecyl)amino]phenyl]amino]phenyl ester, Carbonic acid, ethyl 4-((2-nitro-4-((1-oxooctadecyl)amino)phenyl)amino)phenyl ester, Ethyl 4-(2-nitro-4-((1-oxooctadecyl)amino)anilino)phenyl carbonate
| Molecular Formula | C33H49N3O6 |
|---|---|
| Molecular Weight | 583.36 g/mol |
| LogP | 10.0737 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 583.3621 |
| Heavy Atoms | 42 |
| Complexity | 1073.9557 |
Chemical Identifiers
| CAS Number | 68715-91-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)NC2=CC=C(C=C2)OC(=O)OCC)[N+](=O)[O-] |
Product Overview
RefChem:574472 (CAS 68715-91-3), with molecular formula C33H49N3O6 and molecular weight 583.36 g/mol. IUPAC: ethyl [4-[2-nitro-4-(octadecanoylamino)anilino]phenyl] carbonate.
Chemical Property Profile of RefChem:574472
Property Insights of RefChem:574472
The XLogP value of 10.0737 indicates that RefChem:574472 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:574472. Following Lipinski's Rule of Five, RefChem:574472 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:574472?
The CAS number of RefChem:574472 is 68715-91-3.
What is the molecular formula of RefChem:574472?
The molecular formula of RefChem:574472 is C33H49N3O6.
What is the molecular weight of RefChem:574472?
The molecular weight of RefChem:574472 is 583.36 g/mol.
Where can I buy RefChem:574472?
You can request a quote for RefChem:574472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:574472?
Yes, KEHONG BIO provides custom synthesis services for RefChem:574472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.