Phenyl 3-(3,3-dimethyltriazeno)-p-toluate
TL;DR: Phenyl 3-(3,3-dimethyltriazeno)-p-toluate (CAS 83554-62-5) is a chemical compound with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-(dimethylaminodiazenyl)-4-methylbenzoate
Also Known As: Phenyl 3-(3,3-dimethyltriazeno)-p-toluate, NCI60_017932, Phenyl 3-(3,3-dimethyl-1-triazenyl)-4-methylbenzoate, phenyl 3-(dimethylaminodiazenyl)-4-methylbenzoate, p-Toluic acid, 3-(3,3-dimethyltriazeno)-, phenyl ester
| Molecular Formula | C16H17N3O2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.13208 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 83554-62-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)N=NN(C)C |
| InChIKey | BWZLIYAVTBMFEA-UHFFFAOYSA-N |
Product Overview
Phenyl 3-(3,3-dimethyltriazeno)-p-toluate (CAS 83554-62-5), with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol. IUPAC: phenyl 3-(dimethylaminodiazenyl)-4-methylbenzoate.
Chemical Property Profile of Phenyl 3-(3,3-dimethyltriazeno)-p-toluate
Property Insights of Phenyl 3-(3,3-dimethyltriazeno)-p-toluate
The XLogP value of 4.4 indicates that Phenyl 3-(3,3-dimethyltriazeno)-p-toluate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.3 Ų, Phenyl 3-(3,3-dimethyltriazeno)-p-toluate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 3-(3,3-dimethyltriazeno)-p-toluate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyl 3-(3,3-dimethyltriazeno)-p-toluate?
The CAS number of Phenyl 3-(3,3-dimethyltriazeno)-p-toluate is 83554-62-5.
What is the molecular formula of Phenyl 3-(3,3-dimethyltriazeno)-p-toluate?
The molecular formula of Phenyl 3-(3,3-dimethyltriazeno)-p-toluate is C16H17N3O2.
What is the molecular weight of Phenyl 3-(3,3-dimethyltriazeno)-p-toluate?
The molecular weight of Phenyl 3-(3,3-dimethyltriazeno)-p-toluate is 283.13 g/mol.
Where can I buy Phenyl 3-(3,3-dimethyltriazeno)-p-toluate?
You can request a quote for Phenyl 3-(3,3-dimethyltriazeno)-p-toluate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3-(3,3-dimethyltriazeno)-p-toluate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3-(3,3-dimethyltriazeno)-p-toluate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.