(E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
TL;DR: (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one (CAS 6091-22-1) is a chemical compound with molecular formula C17H16BrNO2 and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
Also Known As: Pilocarpine, sulfate (2:1), BIM-0007413.P001, (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one, 3-[(4-bromo-3-methylphenyl)amino]-1-(4-methoxyphenyl)-2-propen-1-one, (2E)-3-[(4-BROMO-3-METHYLPHENYL)AMINO]-1-(4-METHOXYPHENYL)PROP-2-EN-1-ONE
| Molecular Formula | C17H16BrNO2 |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 4.57462 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.03644 |
| Heavy Atoms | 21 |
| Complexity | 662.99036 |
Chemical Identifiers
| CAS Number | 6091-22-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N/C=C/C(=O)C2=CC=C(C=C2)OC)Br |
Product Overview
(E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one (CAS 6091-22-1), with molecular formula C17H16BrNO2 and molecular weight 345.04 g/mol. IUPAC: (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
Property Insights of (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
The XLogP value of 4.57462 indicates that (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 3 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 (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one?
The CAS number of (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one is 6091-22-1.
What is the molecular formula of (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one?
The molecular formula of (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one is C17H16BrNO2.
What is the molecular weight of (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one?
The molecular weight of (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one is 345.04 g/mol.
Where can I buy (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one?
You can request a quote for (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)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 (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-bromo-3-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.