CAS RN: 35688-09-6
Questinol
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.20260417 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS35688-09-6
- Purity/Analytical Methods: >99.0%
35688-09-6 / 1,6-dihydroxy-3-(hydroxymethyl)-8-methoxyanthracene-9,10-dione
Basic Information
CAS
35688-09-6
Multi CAS
No
Molecular Formula
C16H12O6
Molecular Weight
300.260000
Exact Mass
300.063388
InChI
InChI=1S/C16H12O6/c1-22-12-5-8(18)4-10-14(12)16(21)13-9(15(10)20)2-7(6-17)3-11(13)19/h2-5,17-19H,6H2,1H3
InChIKey
SNBGJGNOQURXCI-UHFFFAOYSA-N
Physical Properties
Melting Point
280 - 282 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
75.55
TPSA
104.06
LogP / Solubility
WLOGP
1.37
MLOGP
1.22
XLogP3
1.8
Consensus LogP
1.46
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
2-Chloro-4-(diethylaMino)pyrido[3,2-d]pyriMidine
- CAS RN: 35691-12-4
- Product Code: SSC-142736
-
(2-Chloroquinazolin-4-yl)-dimethylamine
- CAS RN: 35691-16-8
- Product Code: starshine_CAS35691-16-8
- Purity/Analytical method: >99.0%
-
![CAS 35691-12-4 2-Chloro-4-(diethylaMino)pyrido[3,2-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35691-12-4.gif)
