4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline
TL;DR: 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline (CAS 355382-31-9) is a chemical compound with molecular formula C13H13BrN2 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline
Also Known As: 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline, ChemDiv2_001251, BAS 01125190, (4-bromo-2-methylphenyl)(3-pyridylmethyl)amine, (4-Bromo-2-methyl-phenyl)-pyridin-3-ylmethyl-amine
| Molecular Formula | C13H13BrN2 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.0262 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 355382-31-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NCC2=CN=CC=C2 |
| InChIKey | BMSJWPIWXUHOAQ-UHFFFAOYSA-N |
Product Overview
4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline (CAS 355382-31-9), with molecular formula C13H13BrN2 and molecular weight 276.03 g/mol. IUPAC: 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline.
Chemical Property Profile of 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline
Property Insights of 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline
The XLogP value of 3.4 indicates that 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline has 1 hydrogen bond donor(s) and 2 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 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline?
The CAS number of 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline is 355382-31-9.
What is the molecular formula of 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline?
The molecular formula of 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline is C13H13BrN2.
What is the molecular weight of 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline?
The molecular weight of 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline is 276.03 g/mol.
Where can I buy 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline?
You can request a quote for 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.