CAS RN: 92295-93-7
3-bromo-4-methyl-7-(diethylamino)-coumarin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250301 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS92295-93-7
- Purity/Analytical Methods: >99.0%
92295-93-7 / 3-bromo-7-(diethylamino)-4-methylchromen-2-one
Basic Information
CAS
92295-93-7
Multi CAS
No
Molecular Formula
BC14H16O2Rn
Molecular Weight
310.190000
Exact Mass
309.036440
InChI
InChI=1S/C14H16BrNO2/c1-4-16(5-2)10-6-7-11-9(3)13(15)14(17)18-12(11)8-10/h6-8H,4-5H2,1-3H3
InChIKey
ZUEYCRIQERASHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
78.48
TPSA
33.45
LogP / Solubility
WLOGP
3.71
MLOGP
3.28
XLogP3
3.6
Consensus LogP
3.53
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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