苯胺氢溴酸盐
TL;DR: 苯胺氢溴酸盐 (CAS 542-11-0) is a chemical compound with molecular formula C6H8BrN and molecular weight 172.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯胺氢溴酸盐
aniline;hydrobromide
Also Known As: Aniline hydrobromide, Anilinium bromide, ANILINEHYDROBROMIDE, aniline bromide, Phenylammonium bromide
| Molecular Formula | C6H8BrN |
|---|---|
| Molecular Weight | 172.98 g/mol |
| LogP | 1.85 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.98401 |
| Heavy Atoms | 8 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 542-11-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N.Br |
| InChIKey | KBPWECBBZZNAIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯胺氢溴酸盐 (CAS 542-11-0), with molecular formula C6H8BrN and molecular weight 172.98 g/mol. IUPAC: aniline;hydrobromide.
Chemical Property Profile of 苯胺氢溴酸盐
Property Insights of 苯胺氢溴酸盐
The XLogP value of 1.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯胺氢溴酸盐. With a topological polar surface area (TPSA) of 26.0 Ų, 苯胺氢溴酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯胺氢溴酸盐 has 2 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 苯胺氢溴酸盐?
The CAS number of 苯胺氢溴酸盐 is 542-11-0.
What is the molecular formula of 苯胺氢溴酸盐?
The molecular formula of 苯胺氢溴酸盐 is C6H8BrN.
What is the molecular weight of 苯胺氢溴酸盐?
The molecular weight of 苯胺氢溴酸盐 is 172.98 g/mol.
Where can I buy 苯胺氢溴酸盐?
You can request a quote for 苯胺氢溴酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯胺氢溴酸盐?
Yes, KEHONG BIO provides custom synthesis services for 苯胺氢溴酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.