4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one
TL;DR: 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one (CAS 740769-45-3) is a chemical compound with molecular formula C7H7FN2O and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-hydroxybenzenecarboximidamide
Also Known As: 2-fluoro-4-hydroxybenzene-1-carboximidamide, 2-FLUORO-4-HYDROXY-BENZAMIDINE, 2-Fluoro-4-hydroxybenzenecarboximidamide, 4-(diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one, Benzenecarboximidamide,2-fluoro-4-hydroxy-
| Molecular Formula | C7H7FN2O |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 0.81537 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.05424 |
| Heavy Atoms | 11 |
| Complexity | 298.4921 |
Chemical Identifiers
| CAS Number | 740769-45-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)F)C(=N)N |
Product Overview
4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one (CAS 740769-45-3), with molecular formula C7H7FN2O and molecular weight 154.05 g/mol. IUPAC: 2-fluoro-4-hydroxybenzenecarboximidamide.
Chemical Property Profile of 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one
Property Insights of 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one
The XLogP value of 0.81537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one. Following Lipinski's Rule of Five, 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one has 3 hydrogen bond donor(s) and 2 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-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one?
The CAS number of 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one is 740769-45-3.
What is the molecular formula of 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one?
The molecular formula of 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one is C7H7FN2O.
What is the molecular weight of 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one?
The molecular weight of 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one is 154.05 g/mol.
Where can I buy 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one?
You can request a quote for 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.