Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester
TL;DR: Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester (CAS 77726-96-6) is a chemical compound with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(diethylaminodiazenyl)benzoate
Also Known As: methyl 4-(diethylaminodiazenyl)benzoate, Methyl 4-diethylaminodiazenylbenzoate, methyl 4-(3,3-diethyltriaz-1-en-1-yl)benzoate, J2.340.113D, 4-[(Diethylamino)azo]benzoic acid methyl ester
| Molecular Formula | C12H17N3O2 |
|---|---|
| Molecular Weight | 235.13 g/mol |
| LogP | 2.8137 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.13208 |
| Heavy Atoms | 17 |
| Complexity | 383.24216 |
Chemical Identifiers
| CAS Number | 77726-96-6 |
|---|---|
| SMILES | CCN(CC)N=NC1=CC=C(C=C1)C(=O)OC |
Product Overview
Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester (CAS 77726-96-6), with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol. IUPAC: methyl 4-(diethylaminodiazenyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester
Property Insights of Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester
The XLogP value of 2.8137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester. With a topological polar surface area (TPSA) of 54.26 Ų, Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl 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 Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester?
The CAS number of Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester is 77726-96-6.
What is the molecular formula of Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester?
The molecular formula of Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester is C12H17N3O2.
What is the molecular weight of Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester?
The molecular weight of Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester is 235.13 g/mol.
Where can I buy Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester?
You can request a quote for Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.