CAS RN: 82-39-3
1-methoxyanthraquinone
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.20250510 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS82-39-3
- Purity/Analytical Methods: >99.0%
82-39-3 / 1-methoxyanthracene-9,10-dione
Basic Information
CAS
82-39-3
Multi CAS
Yes
Molecular Formula
C15H10O3
Molecular Weight
238.240000
Exact Mass
238.062994
InChI
InChI=1S/C15H10O3/c1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16/h2-8H,1H3
InChIKey
CQGDBBBZCJYDRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.3
TPSA
43.37
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
3.3
Consensus LogP
2.65
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
VISNAGIN
- CAS RN: 82-57-5
- Product Code: starshine_CAS82-57-5
- Purity/Analytical method: >99.0%
-
8-chloro-1-naphthalenesulfonyl chloride(SALTDATA: FREE)
- CAS RN: 82-74-6
- Product Code: SSC-190257
-
-
PRODIGIOSIN
- CAS RN: 82-89-3
- Product Code: starshine_CAS82-89-3
- Purity/Analytical method: >99.0%
