p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester
TL;DR: p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester (CAS 76765-26-9) is a chemical compound with molecular formula C15H23N3O2 and molecular weight 277.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 3-(dimethylaminodiazenyl)-4-methylbenzoate
Also Known As: Isopentyl 3-(3,3-dimethyltriazeno)-p-toluate, p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester, 3-methylbutyl 3-(dimethylaminodiazenyl)-4-methylbenzoate, 3-methylbutyl 3-dimethylaminodiazenyl-4-methylbenzoate, Benzoic acid, 3-(3,3-dimethyl-1-triazenyl)-4-methyl-, (3-methylbutyl) ester
| Molecular Formula | C15H23N3O2 |
|---|---|
| Molecular Weight | 277.18 g/mol |
| LogP | 3.75822 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.17902 |
| Heavy Atoms | 20 |
| Complexity | 482.00702 |
Chemical Identifiers
| CAS Number | 76765-26-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OCCC(C)C)N=NN(C)C |
Product Overview
p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester (CAS 76765-26-9), with molecular formula C15H23N3O2 and molecular weight 277.18 g/mol. IUPAC: 3-methylbutyl 3-(dimethylaminodiazenyl)-4-methylbenzoate.
Chemical Property Profile of p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester
Property Insights of p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester
The XLogP value of 3.75822 indicates that p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.26 Ų, p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester has 0 hydrogen bond donor(s) and 4 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 p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester?
The CAS number of p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester is 76765-26-9.
What is the molecular formula of p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester?
The molecular formula of p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester is C15H23N3O2.
What is the molecular weight of p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester?
The molecular weight of p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester is 277.18 g/mol.
Where can I buy p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester?
You can request a quote for p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Toluic acid, 3-(3,3-dimethyltriazeno)-, isopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.