3,4-二溴苯胺
TL;DR: 3,4-二溴苯胺 (CAS 615-55-4) is a chemical compound with molecular formula C6H5Br2N and molecular weight 248.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二溴苯胺
3,4-dibromoaniline
Also Known As: 3,4-Dibromoaniline, 3,4-dibromobenzenamine, Benzenamine, 3,4-dibromo-, 612-170-9, RefChem:485855
| Molecular Formula | C6H5Br2N |
|---|---|
| Molecular Weight | 248.88 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.87888 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 615-55-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Br)Br |
| InChIKey | QFTJOYLPELHHCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二溴苯胺 (CAS 615-55-4), with molecular formula C6H5Br2N and molecular weight 248.88 g/mol. IUPAC: 3,4-dibromoaniline.
Chemical Property Profile of 3,4-二溴苯胺
Property Insights of 3,4-二溴苯胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二溴苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3,4-二溴苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二溴苯胺 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 3,4-二溴苯胺?
The CAS number of 3,4-二溴苯胺 is 615-55-4.
What is the molecular formula of 3,4-二溴苯胺?
The molecular formula of 3,4-二溴苯胺 is C6H5Br2N.
What is the molecular weight of 3,4-二溴苯胺?
The molecular weight of 3,4-二溴苯胺 is 248.88 g/mol.
Where can I buy 3,4-二溴苯胺?
You can request a quote for 3,4-二溴苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二溴苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二溴苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.