N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline (CAS 337489-12-0) is a chemical compound with molecular formula C15H14BrNO2 and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline
Also Known As: ChemDiv3_004148, IDI1_022058, BAS 01313257, N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline, AB00089848-01
| Molecular Formula | C15H14BrNO2 |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.02078 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 337489-12-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NCC2=CC3=C(C=C2)OCO3 |
| InChIKey | RZIROGOWNGCWKX-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline (CAS 337489-12-0), with molecular formula C15H14BrNO2 and molecular weight 319.02 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline
The XLogP value of 4.3 indicates that N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline 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 N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline is 337489-12-0.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline is C15H14BrNO2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline is 319.02 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.