6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile
TL;DR: 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile (CAS 148901-53-5) is a chemical compound with molecular formula C10H9FN2O and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dimethylamino)-2-fluoro-3-formylbenzonitrile
Also Known As: 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile, 3-Cyano-4-dimethylamino-2-fluorobenzaldehyde, 3-Cyano-4-(dimethylamino)-2-fluorobenzaldehyde, 7422AA, Benzonitrile, 6-(dimethylamino)-2-fluoro-3-formyl-
| Molecular Formula | C10H9FN2O |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 1.57588 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.06989 |
| Heavy Atoms | 14 |
| Complexity | 407.3184 |
Chemical Identifiers
| CAS Number | 148901-53-5 |
|---|---|
| SMILES | CN(C)C1=C(C(=C(C=C1)C=O)F)C#N |
Product Overview
6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile (CAS 148901-53-5), with molecular formula C10H9FN2O and molecular weight 192.07 g/mol. IUPAC: 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile.
Chemical Property Profile of 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile
Property Insights of 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile
The XLogP value of 1.57588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile has 0 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 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile?
The CAS number of 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile is 148901-53-5.
What is the molecular formula of 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile?
The molecular formula of 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile is C10H9FN2O.
What is the molecular weight of 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile?
The molecular weight of 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile is 192.07 g/mol.
Where can I buy 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile?
You can request a quote for 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.