4-溴苯甲醛
TL;DR: 4-溴苯甲醛 (CAS 1122-91-4) is a chemical compound with molecular formula C7H5BrO and molecular weight 183.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴苯甲醛
4-bromobenzaldehyde
Also Known As: 4-Bromobenzaldehyde, p-Bromobenzaldehyde, Benzaldehyde, 4-bromo-, Benzaldehyde, p-bromo-, null
| Molecular Formula | C7H5BrO |
|---|---|
| Molecular Weight | 183.95 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.95238 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 1122-91-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)Br |
| InChIKey | ZRYZBQLXDKPBDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-溴苯甲醛 (CAS 1122-91-4), with molecular formula C7H5BrO and molecular weight 183.95 g/mol. IUPAC: 4-bromobenzaldehyde.
Chemical Property Profile of 4-溴苯甲醛
Property Insights of 4-溴苯甲醛
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴苯甲醛. With a topological polar surface area (TPSA) of 17.1 Ų, 4-溴苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-溴苯甲醛 has 0 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 4-溴苯甲醛?
The CAS number of 4-溴苯甲醛 is 1122-91-4.
What is the molecular formula of 4-溴苯甲醛?
The molecular formula of 4-溴苯甲醛 is C7H5BrO.
What is the molecular weight of 4-溴苯甲醛?
The molecular weight of 4-溴苯甲醛 is 183.95 g/mol.
Where can I buy 4-溴苯甲醛?
You can request a quote for 4-溴苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-溴苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 4-溴苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.