4-Fluorobenzene-1,2-diamine
TL;DR: 4-Fluorobenzene-1,2-diamine (CAS 55495-99-3) is a chemical compound with molecular formula C6H7FN2 and molecular weight 126.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluorobenzene-1,2-diamine
Also Known As: 4-Fluorobenzene-1,2-diamine, 4-Fluoro-1,2-phenylenediamine, 1,2-Diamino-4-fluorobenzene, 3,4-diaminofluorobenzene, 4-Fluoro-o-phenylenediamine
| Molecular Formula | C6H7FN2 |
|---|---|
| Molecular Weight | 126.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.059326 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 55495-99-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)N)N |
| InChIKey | KWEWNOOZQVJONF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorobenzene-1,2-diamine (CAS 55495-99-3), with molecular formula C6H7FN2 and molecular weight 126.06 g/mol. IUPAC: 4-fluorobenzene-1,2-diamine.
Chemical Property Profile of 4-Fluorobenzene-1,2-diamine
Property Insights of 4-Fluorobenzene-1,2-diamine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzene-1,2-diamine. With a topological polar surface area (TPSA) of 52.0 Ų, 4-Fluorobenzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzene-1,2-diamine has 2 hydrogen bond donor(s) and 3 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-Fluorobenzene-1,2-diamine?
The CAS number of 4-Fluorobenzene-1,2-diamine is 55495-99-3.
What is the molecular formula of 4-Fluorobenzene-1,2-diamine?
The molecular formula of 4-Fluorobenzene-1,2-diamine is C6H7FN2.
What is the molecular weight of 4-Fluorobenzene-1,2-diamine?
The molecular weight of 4-Fluorobenzene-1,2-diamine is 126.06 g/mol.
Where can I buy 4-Fluorobenzene-1,2-diamine?
You can request a quote for 4-Fluorobenzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.