丁二酮肟
TL;DR: 丁二酮肟 (CAS 95-45-4) is a chemical compound with molecular formula C8H9FO2 and molecular weight 156.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁二酮肟
(4-fluoro-3-methoxyphenyl)methanol
Also Known As: (4-Fluoro-3-methoxyphenyl)methanol, 4-FLUORO-3-METHOXYBENZYL ALCOHOL, Dimethylglyoxime, Benzenemethanol, 4-fluoro-3-methoxy-, (4-fluoro-3-methoxy-phenyl)-methanol
| Molecular Formula | C8H9FO2 |
|---|---|
| Molecular Weight | 156.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.05865 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 95-45-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CO)F |
| InChIKey | FZEDGSMVRLKUOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁二酮肟 (CAS 95-45-4), with molecular formula C8H9FO2 and molecular weight 156.06 g/mol. IUPAC: (4-fluoro-3-methoxyphenyl)methanol.
Chemical Property Profile of 丁二酮肟
Property Insights of 丁二酮肟
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁二酮肟. With a topological polar surface area (TPSA) of 29.5 Ų, 丁二酮肟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁二酮肟 has 1 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 丁二酮肟?
The CAS number of 丁二酮肟 is 95-45-4.
What is the molecular formula of 丁二酮肟?
The molecular formula of 丁二酮肟 is C8H9FO2.
What is the molecular weight of 丁二酮肟?
The molecular weight of 丁二酮肟 is 156.06 g/mol.
Where can I buy 丁二酮肟?
You can request a quote for 丁二酮肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁二酮肟?
Yes, KEHONG BIO provides custom synthesis services for 丁二酮肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.