AB00116370-01
TL;DR: AB00116370-01 (CAS 370847-20-4) is a chemical compound with molecular formula C14H14FNO4 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-fluoro-5-methylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: AB00116370-01, 5-{[(2-fluoro-5-methylphenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-(((2-fluoro-5-methylphenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[(2-fluoro-5-methylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
| Molecular Formula | C14H14FNO4 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.0907 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 370847-20-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)F)NC=C2C(=O)OC(OC2=O)(C)C |
| InChIKey | LJHODHUYIQKWEW-UHFFFAOYSA-N |
Product Overview
AB00116370-01 (CAS 370847-20-4), with molecular formula C14H14FNO4 and molecular weight 279.09 g/mol. IUPAC: 5-[(2-fluoro-5-methylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of AB00116370-01
Property Insights of AB00116370-01
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00116370-01. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116370-01. Following Lipinski's Rule of Five, AB00116370-01 has 1 hydrogen bond donor(s) and 6 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 AB00116370-01?
The CAS number of AB00116370-01 is 370847-20-4.
What is the molecular formula of AB00116370-01?
The molecular formula of AB00116370-01 is C14H14FNO4.
What is the molecular weight of AB00116370-01?
The molecular weight of AB00116370-01 is 279.09 g/mol.
Where can I buy AB00116370-01?
You can request a quote for AB00116370-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116370-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116370-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.