Coumarin, 3-amino-4-diethylamino-
TL;DR: Coumarin, 3-amino-4-diethylamino- (CAS 101468-13-7) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(diethylamino)chromen-2-one
Also Known As: 3-Amino-4-diethylaminocoumarin, 3-amino-4-(diethylamino)chromen-2-one, COUMARIN, 3-AMINO-4-DIETHYLAMINO-, 3-amino-4-diethylamino-chromen-2-one, 3-amino-4-(diethylamino)-2H-chromen-2-one
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 101468-13-7 |
|---|---|
| SMILES | CCN(CC)C1=C(C(=O)OC2=CC=CC=C21)N |
| InChIKey | VGSSSRDHKMKFIO-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-amino-4-diethylamino- (CAS 101468-13-7), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 3-amino-4-(diethylamino)chromen-2-one.
Chemical Property Profile of Coumarin, 3-amino-4-diethylamino-
Property Insights of Coumarin, 3-amino-4-diethylamino-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3-amino-4-diethylamino-. With a topological polar surface area (TPSA) of 55.6 Ų, Coumarin, 3-amino-4-diethylamino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 3-amino-4-diethylamino- has 1 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 Coumarin, 3-amino-4-diethylamino-?
The CAS number of Coumarin, 3-amino-4-diethylamino- is 101468-13-7.
What is the molecular formula of Coumarin, 3-amino-4-diethylamino-?
The molecular formula of Coumarin, 3-amino-4-diethylamino- is C13H16N2O2.
What is the molecular weight of Coumarin, 3-amino-4-diethylamino-?
The molecular weight of Coumarin, 3-amino-4-diethylamino- is 232.12 g/mol.
Where can I buy Coumarin, 3-amino-4-diethylamino-?
You can request a quote for Coumarin, 3-amino-4-diethylamino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-amino-4-diethylamino-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-amino-4-diethylamino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.