![Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate structure](/static/products/7351/73513-73-2.webp)
Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate
TL;DR: Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate (CAS 73513-73-2) is a chemical compound with molecular formula C11H13Cl2N3O2 and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dichloro-2-(dimethylaminodiazenyl)benzoate
Also Known As: 1-(2-Carbethoxy-4,3-dimethyltriazene, ethyl 3,5-dichloro-2-(dimethylaminodiazenyl)benzoate, Ethyl 3,5-dichloro-2-dimethylaminodiazenyl-benzoate, Benzoic acid, 3,5-dichloro-2-(3,3-dimethyl-1-triazenyl)-, ethyl ester, 3,5-dichloro-2-(3,3-dimethyl-1-triazeno)-benzoic acid ethyl ester
| Molecular Formula | C11H13Cl2N3O2 |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.03848 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 73513-73-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CC(=C1)Cl)Cl)N=NN(C)C |
| InChIKey | KXZGDHHTTHSAKO-UHFFFAOYSA-N |
Product Overview
Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate (CAS 73513-73-2), with molecular formula C11H13Cl2N3O2 and molecular weight 289.04 g/mol. IUPAC: ethyl 3,5-dichloro-2-(dimethylaminodiazenyl)benzoate.
Chemical Property Profile of Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate
Property Insights of Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate
The XLogP value of 4.1 indicates that Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.3 Ų, Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate 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 Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate?
The CAS number of Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate is 73513-73-2.
What is the molecular formula of Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate?
The molecular formula of Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate is C11H13Cl2N3O2.
What is the molecular weight of Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate?
The molecular weight of Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate is 289.04 g/mol.
Where can I buy Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate?
You can request a quote for Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-dichloro-2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.