CAS RN: 3722-44-9
AKOS BC-2979
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250905 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS3722-44-9
- Purity/Analytical Methods: >99.0%
3722-44-9 / 3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Basic Information
CAS
3722-44-9
Multi CAS
No
Molecular Formula
C13H12O3
Molecular Weight
216.230000
Exact Mass
216.078644
InChI
InChI=1S/C13H12O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h5-7,14H,1-4H2
InChIKey
OCRPPMHVRQIWOS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.31
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.79
TPSA
50.44
LogP / Solubility
WLOGP
2.38
MLOGP
2.09
XLogP3
2.5
Consensus LogP
2.32
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
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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- Product Code: starshine_CAS3722-52-9
- Purity/Analytical method: >99.0%
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