Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate
TL;DR: Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate (CAS 6534-33-4) is a chemical compound with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(2-methoxycarbonylphenyl)iminohydrazinyl]benzoate
Also Known As: dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate, J1.200.848A, 2,2 -Diazoaminobis(benzoic acid methyl) ester, methyl 2-[2-(2-methoxycarbonylphenyl)iminohydrazinyl]benzoate, 2,2'-Triazen-1,3-diyl-di-benzoesaeure-dimethylester
| Molecular Formula | C16H15N3O4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.10626 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 6534-33-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NN=NC2=CC=CC=C2C(=O)OC |
| InChIKey | UDQMIPNCOGNAGF-UHFFFAOYSA-N |
Product Overview
Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate (CAS 6534-33-4), with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol. IUPAC: methyl 2-[2-(2-methoxycarbonylphenyl)iminohydrazinyl]benzoate.
Chemical Property Profile of Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate
Property Insights of Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate
The XLogP value of 4.3 indicates that Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate. Following Lipinski's Rule of Five, Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate has 1 hydrogen bond donor(s) and 7 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 Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate?
The CAS number of Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate is 6534-33-4.
What is the molecular formula of Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate?
The molecular formula of Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate is C16H15N3O4.
What is the molecular weight of Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate?
The molecular weight of Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate is 313.11 g/mol.
Where can I buy Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate?
You can request a quote for Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2'-(1e)-triaz-1-ene-1,3-diyldibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.