CAS RN: 35241-80-6
9-Methoxy-alpha-lapachone
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS35241-80-6
- Purity/Analytical Methods: >99.0%
35241-80-6 / 9-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Basic Information
CAS
35241-80-6
Multi CAS
No
Molecular Formula
C16H16O4
Molecular Weight
272.290000
Exact Mass
272.104859
InChI
InChI=1S/C16H16O4/c1-16(2)8-7-10-13(17)9-5-4-6-11(19-3)12(9)14(18)15(10)20-16/h4-6H,7-8H2,1-3H3
InChIKey
PZZDIQYEWIHAEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
73.08
TPSA
52.6
LogP / Solubility
WLOGP
2.92
MLOGP
2.58
XLogP3
2.6
Consensus LogP
2.7
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
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
1.5
Customers Also Viewed
-
2′-HYDROXYFLAVANONE
- CAS RN: 35244-11-2
- Product Code: starshine_CAS35244-11-2
- Purity/Analytical method: >99.0%
-
1-(5-CHLORO-2-METHYLPHENYL)ETHYLAMINE
- CAS RN: 35247-80-4
- Product Code: starshine_CAS35247-80-4
- Purity/Analytical method: >99.0%
-
3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE
- CAS RN: 35249-62-8
- Product Code: SSC-142163
-
-
-
![CAS 35251-99-1 2,3-dichloropyrido[3,4-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35251-99-1.gif)