![Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester structure](/static/products/1406/140674-76-6.webp)
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
TL;DR: Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester (CAS 140674-76-6) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
Also Known As: Tyrphostin AG 957, Tyrphostin AG957, Lavendustin C Analog, Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester, AG 957
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H15NO4 |
| Molecular Weight | 273.1001 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1001 Da |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O |
| InChIKey | QSFREBZMBNRGOK-UHFFFAOYSA-N |
Product Description
Applications: Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester (CAS 140674-76-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester (CAS 140674-76-6) is a pharmaceutical intermediate with the molecular formula C15H15NO4 and a molecular weight of 273.1 g/mol. It is also known as Tyrphostin AG 957 and Tyrphostin AG957.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
Property Insights of Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester?
The CAS number of Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester is 140674-76-6.
What is the molecular formula of Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester?
The molecular formula of Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester is C15H15NO4.
What is the molecular weight of Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester?
The molecular weight of Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester is 273.1001 g/mol.
What are the applications of Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester?
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis....
Where can I buy Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester?
You can request a quote for Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.