CAS RN: 41044-12-6
7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251020 | 100mg | Out of stock | Inquiry | |
| Batchno.20250731 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250204 | 1g | In stock | Tianjin, Chengdu | Inquiry |
| Batchno.20260227 | 200mg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20251203 | 250mg | In stock | Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-149453
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
41044-12-6 / 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
Basic Information
CAS
41044-12-6
Multi CAS
Yes
Molecular Formula
C21H21N3O2
Molecular Weight
347.400000
Exact Mass
347.163377
InChI
InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
InChIKey
KZFUMWVJJNDGAU-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
19
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
105.75
TPSA
51.27
LogP / Solubility
WLOGP
4.19
MLOGP
3.71
XLogP3
4
Consensus LogP
3.97
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
