CAS RN: 72361-67-2
Laetanine
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.20250313 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS72361-67-2
- Purity/Analytical Methods: >99.0%
72361-67-2 / 1,9-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol
Basic Information
CAS
72361-67-2
Multi CAS
Yes
Molecular Formula
C18H19NO4
Molecular Weight
313.300000
Exact Mass
313.131408
InChI
InChI=1S/C18H19NO4/c1-22-15-7-10-5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(16)11(10)8-13(15)20/h6-8,12,19-21H,3-5H2,1-2H3
InChIKey
URQAEFLEDPPPFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
86.46
TPSA
70.95
LogP / Solubility
WLOGP
2.52
MLOGP
2.24
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
-
-
5-BENZYL-2-HYDROXY-BENZALDEHYDE
- CAS RN: 72375-01-0
- Product Code: starshine_CAS72375-01-0
- Purity/Analytical method: >99.0%
-
-
