3-溴苯胺
TL;DR: 3-溴苯胺 (CAS 591-19-5) is a chemical compound with molecular formula C6H6BrN and molecular weight 170.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴苯胺
3-bromoaniline
Also Known As: 3-BROMOANILINE, m-Bromoaniline, Benzenamine, 3-bromo-, 3-Bromobenzenamine, m-Aminobromobenzene
| Molecular Formula | C6H6BrN |
|---|---|
| Molecular Weight | 170.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.96835 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
| Vapor Pressure | 0.04 [mmHg] |
Chemical Identifiers
| CAS Number | 591-19-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)N |
| InChIKey | DHYHYLGCQVVLOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴苯胺 (CAS 591-19-5), with molecular formula C6H6BrN and molecular weight 170.97 g/mol. IUPAC: 3-bromoaniline.
Chemical Property Profile of 3-溴苯胺
Property Insights of 3-溴苯胺
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-溴苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3-溴苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴苯胺 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-溴苯胺?
The CAS number of 3-溴苯胺 is 591-19-5.
What is the molecular formula of 3-溴苯胺?
The molecular formula of 3-溴苯胺 is C6H6BrN.
What is the molecular weight of 3-溴苯胺?
The molecular weight of 3-溴苯胺 is 170.97 g/mol.
Where can I buy 3-溴苯胺?
You can request a quote for 3-溴苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-溴苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.