Coumarin 30
TL;DR: Coumarin 30 (CAS 41044-12-6) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
Also Known As: Coumarin 30, Coumarin 515, 7-(diethylamino)-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-2H-chromen-2-one, ChemDiv2_003295, 7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 41044-12-6 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C |
| InChIKey | KZFUMWVJJNDGAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumarin 30 (CAS 41044-12-6), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one.
Chemical Property Profile of Coumarin 30
Property Insights of Coumarin 30
The XLogP value of 4.0 indicates that Coumarin 30 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, Coumarin 30 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin 30 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 Coumarin 30?
The CAS number of Coumarin 30 is 41044-12-6.
What is the molecular formula of Coumarin 30?
The molecular formula of Coumarin 30 is C21H21N3O2.
What is the molecular weight of Coumarin 30?
The molecular weight of Coumarin 30 is 347.16 g/mol.
Where can I buy Coumarin 30?
You can request a quote for Coumarin 30 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 30?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 30 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.