2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester
TL;DR: 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester (CAS 488103-33-9) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]benzoate
Also Known As: (E)-methyl 2-((3,5-dimethylisoxazol-4-yl)diazenyl)benzoate, 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester, methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]benzoate, methyl 2-[(E)-(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]benzoate, METHYL 2-[(1E)-2-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)DIAZEN-1-YL]BENZOATE
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 3.49344 |
| Topological Polar Surface Area | 77.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 612.3137 |
Chemical Identifiers
| CAS Number | 488103-33-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)N=NC2=CC=CC=C2C(=O)OC |
Product Overview
2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester (CAS 488103-33-9), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]benzoate.
Chemical Property Profile of 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester
Property Insights of 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester
The XLogP value of 3.49344 indicates that 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester. Following Lipinski's Rule of Five, 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester has 0 hydrogen bond donor(s) and 6 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 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester?
The CAS number of 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester is 488103-33-9.
What is the molecular formula of 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester?
The molecular formula of 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester is C13H13N3O3.
What is the molecular weight of 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester?
The molecular weight of 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester is 259.10 g/mol.
Where can I buy 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester?
You can request a quote for 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dimethyl-isoxazol-4-ylazo)-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.