![3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one structure](/static/products/6918/691870-05-0.webp)
3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one
TL;DR: 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one (CAS 691870-05-0) is a chemical compound with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one
Also Known As: 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one, (E)-3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzisoxazol-5-yl]-2-propen-1-one
| Molecular Formula | C25H22N2O4 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 5.62892 |
| Topological Polar Surface Area | 73.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.15796 |
| Heavy Atoms | 31 |
| Complexity | 1273.7535 |
Chemical Identifiers
| CAS Number | 691870-05-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=C3C=C(C=CC3=NO2)C(=O)C=CNC4=C(C=CC(=C4)OC)OC |
Product Overview
3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one (CAS 691870-05-0), with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol. IUPAC: 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one.
Chemical Property Profile of 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one
Property Insights of 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one
The XLogP value of 5.62892 indicates that 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one. Following Lipinski's Rule of Five, 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one?
The CAS number of 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one is 691870-05-0.
What is the molecular formula of 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one?
The molecular formula of 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one is C25H22N2O4.
What is the molecular weight of 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one?
The molecular weight of 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one is 414.16 g/mol.
Where can I buy 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one?
You can request a quote for 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethoxyanilino)-1-[3-(3-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.