![3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione structure](/static/products/5827/58273-13-5.webp)
3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione
TL;DR: 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione (CAS 58273-13-5) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-(dimethylaminomethylidene)chromene-2,4-dione
Also Known As: 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione, (3Z)-3-(dimethylaminomethylidene)chromene-2,4-dione, 3-(N,N-dimethylaminomethylene)-chromane-2,4-dione
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.2338 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 488.79218 |
Chemical Identifiers
| CAS Number | 58273-13-5 |
|---|---|
| SMILES | CN(C)/C=C\1/C(=O)C2=CC=CC=C2OC1=O |
Product Overview
3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione (CAS 58273-13-5), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: (3Z)-3-(dimethylaminomethylidene)chromene-2,4-dione.
Chemical Property Profile of 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione
Property Insights of 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione
The XLogP value of 1.2338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione. With a topological polar surface area (TPSA) of 46.61 Ų, 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione has 0 hydrogen bond donor(s) and 4 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-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione?
The CAS number of 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione is 58273-13-5.
What is the molecular formula of 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione?
The molecular formula of 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione is C12H11NO3.
What is the molecular weight of 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione?
The molecular weight of 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione is 217.07 g/mol.
Where can I buy 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione?
You can request a quote for 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(dimethylamino)methylene]-2H-chromene-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.