3-Bromo-o-toluidine
TL;DR: 3-Bromo-o-toluidine (CAS 56885-28-0) is a chemical compound with molecular formula CC1=C(C=CC=C1Br)N and molecular weight 184.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-methylaniline
Also Known As: 3-Bromo-2-methylaniline, 3-Bromo-o-toluidine, 2-Amino-6-bromotoluene, Pirodavir, 3-bromo-2-methylbenzenamine
| Molecular Formula | CC1=C(C=CC=C1Br)N |
|---|---|
| Molecular Weight | 184.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.98401 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 56885-28-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1Br)N |
| InChIKey | IILVSKMKMOJHMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-o-toluidine (CAS 56885-28-0), with molecular formula CC1=C(C=CC=C1Br)N and molecular weight 184.98 g/mol. IUPAC: 3-bromo-2-methylaniline.
Chemical Property Profile of 3-Bromo-o-toluidine
Property Insights of 3-Bromo-o-toluidine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-o-toluidine. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Bromo-o-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-o-toluidine has 1 hydrogen bond donor(s) and 1 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 3-Bromo-o-toluidine?
The CAS number of 3-Bromo-o-toluidine is 56885-28-0.
What is the molecular formula of 3-Bromo-o-toluidine?
The molecular formula of 3-Bromo-o-toluidine is CC1=C(C=CC=C1Br)N.
What is the molecular weight of 3-Bromo-o-toluidine?
The molecular weight of 3-Bromo-o-toluidine is 184.98 g/mol.
Where can I buy 3-Bromo-o-toluidine?
You can request a quote for 3-Bromo-o-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-o-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-o-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.