7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one
TL;DR: 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one (CAS 74802-04-3) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(dimethylamino)-3-isothiocyanato-4-methylchromen-2-one
Also Known As: J2.798.446K, 7-Dimethylamino-3-isothiocyanato-4-methylcoumarin, 7-Dimethylamino-4-methylcoumarin-3-isothiocyanate, 7-(dimethylamino)-4-methylcoumarin-3-isothiocyanate, 7-Dimethylamino-4-methylcoumarin-3-isothiocyanate(DACITC)
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.90172 |
| Topological Polar Surface Area | 45.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 712.7384 |
Chemical Identifiers
| CAS Number | 74802-04-3 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)N(C)C)N=C=S |
Product Overview
7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one (CAS 74802-04-3), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 7-(dimethylamino)-3-isothiocyanato-4-methylchromen-2-one.
Chemical Property Profile of 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one
Property Insights of 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one
The XLogP value of 2.90172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one. With a topological polar surface area (TPSA) of 45.81 Ų, 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one has 0 hydrogen bond donor(s) and 5 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 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one?
The CAS number of 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one is 74802-04-3.
What is the molecular formula of 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one?
The molecular formula of 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one is C13H12N2O2S.
What is the molecular weight of 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one?
The molecular weight of 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one is 260.06 g/mol.
Where can I buy 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one?
You can request a quote for 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(Dimethylamino)-3-isothiocyanato-4-methylchromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.