p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl-
TL;DR: p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl- (CAS 29097-00-5) is a chemical compound with molecular formula C17H14BrN and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline
Also Known As: 2-Bromo-4-(1H-inden-1-ylidenemethyl)-N-methylaniline, 1-(3-Bromo-4-(methylamino)benzylidene)indene, p-Toluidine, 2-bromo-.alpha.-inden-1-ylidene-N-methyl-, Benzenamine, 2-bromo-4-(1H-inden-1-ylidenemethyl)-N-methyl-, Indene, 1-(3-bromo-4-(methylamino)benzylidene)-
| Molecular Formula | C17H14BrN |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 5.0582 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.03094 |
| Heavy Atoms | 19 |
| Complexity | 683.41144 |
Chemical Identifiers
| CAS Number | 29097-00-5 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)/C=C/2\C=CC3=CC=CC=C32)Br |
Product Overview
p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl- (CAS 29097-00-5), with molecular formula C17H14BrN and molecular weight 311.03 g/mol. IUPAC: 2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline.
Chemical Property Profile of p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl-
Property Insights of p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl-
The XLogP value of 5.0582 indicates that p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl-?
The CAS number of p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl- is 29097-00-5.
What is the molecular formula of p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl-?
The molecular formula of p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl- is C17H14BrN.
What is the molecular weight of p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl-?
The molecular weight of p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl- is 311.03 g/mol.
Where can I buy p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl-?
You can request a quote for p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluidine, 2-bromo-alpha-inden-1-ylidene-N-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.