3-(Dimethylaminomethylene)-chroman-4-one
TL;DR: 3-(Dimethylaminomethylene)-chroman-4-one (CAS 74396-87-5) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylaminomethylidene)chromen-4-one
Also Known As: 3-(Dimethylaminomethylene)-4-chromanone, 3-(dimethylaminomethylene)-chroman-4-one, 3-(dimethylaminomethylidene)chromen-4-one, 3-DIMETHYLAMINOMETHYLENE-CHROMAN-4-ONE, 3-[(dimethylamino)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.7072 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 421.38522 |
Chemical Identifiers
| CAS Number | 74396-87-5 |
|---|---|
| SMILES | CN(C)C=C1COC2=CC=CC=C2C1=O |
Product Overview
3-(Dimethylaminomethylene)-chroman-4-one (CAS 74396-87-5), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 3-(dimethylaminomethylidene)chromen-4-one.
Chemical Property Profile of 3-(Dimethylaminomethylene)-chroman-4-one
Property Insights of 3-(Dimethylaminomethylene)-chroman-4-one
The XLogP value of 1.7072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylaminomethylene)-chroman-4-one. With a topological polar surface area (TPSA) of 29.54 Ų, 3-(Dimethylaminomethylene)-chroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylaminomethylene)-chroman-4-one 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 3-(Dimethylaminomethylene)-chroman-4-one?
The CAS number of 3-(Dimethylaminomethylene)-chroman-4-one is 74396-87-5.
What is the molecular formula of 3-(Dimethylaminomethylene)-chroman-4-one?
The molecular formula of 3-(Dimethylaminomethylene)-chroman-4-one is C12H13NO2.
What is the molecular weight of 3-(Dimethylaminomethylene)-chroman-4-one?
The molecular weight of 3-(Dimethylaminomethylene)-chroman-4-one is 203.09 g/mol.
Where can I buy 3-(Dimethylaminomethylene)-chroman-4-one?
You can request a quote for 3-(Dimethylaminomethylene)-chroman-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylaminomethylene)-chroman-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylaminomethylene)-chroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.