Nestosyl ointment
TL;DR: Nestosyl ointment (CAS 80127-69-1) is a chemical compound with molecular formula C35H39N3O8Zn and molecular weight 693.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
zinc;benzene-1,3-diol;butyl 4-aminobenzoate;ethyl 4-aminobenzoate;oxygen(2-);quinolin-8-ol
Also Known As: Nestosyl ointment, Dutch nestosyl ointment, Belgian nestosyl ointment, Benzoic acid, 4-amino-, butyl ester, mixt. with 1,3-benzenediol, ethyl 4-aminobenzoate, 8-quinolinol and zinc oxide (ZnO), zinc;benzene-1,3-diol;butyl 4-aminobenzoate;ethyl 4-aminobenzoate;oxygen(2-);quinolin-8-ol
| Molecular Formula | C35H39N3O8Zn |
|---|---|
| Molecular Weight | 693.20 g/mol |
| LogP | 6.5881 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 693.2029 |
| Heavy Atoms | 47 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 80127-69-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N.CCOC(=O)C1=CC=C(C=C1)N.C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC(=CC(=C1)O)O.[O-2].[Zn+2] |
| InChIKey | QHOHUHPZSWOYRS-UHFFFAOYSA-N |
Product Overview
Nestosyl ointment (CAS 80127-69-1), with molecular formula C35H39N3O8Zn and molecular weight 693.20 g/mol. IUPAC: zinc;benzene-1,3-diol;butyl 4-aminobenzoate;ethyl 4-aminobenzoate;oxygen(2-);quinolin-8-ol.
Chemical Property Profile of Nestosyl ointment
Property Insights of Nestosyl ointment
The XLogP value of 6.5881 indicates that Nestosyl ointment is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting Nestosyl ointment may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nestosyl ointment has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nestosyl ointment?
The CAS number of Nestosyl ointment is 80127-69-1.
What is the molecular formula of Nestosyl ointment?
The molecular formula of Nestosyl ointment is C35H39N3O8Zn.
What is the molecular weight of Nestosyl ointment?
The molecular weight of Nestosyl ointment is 693.20 g/mol.
Where can I buy Nestosyl ointment?
You can request a quote for Nestosyl ointment directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nestosyl ointment?
Yes, KEHONG BIO provides custom synthesis services for Nestosyl ointment and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.