CAS RN: 37687-34-6
6-Acetonyldihydrosanguinarine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS37687-34-6
- Purity/Analytical Methods: >99.0%
37687-34-6 / 1-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)propan-2-one
Basic Information
CAS
37687-34-6
Multi CAS
No
Molecular Formula
C23H19NO5
Molecular Weight
389.400000
Exact Mass
389.126323
InChI
InChI=1S/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3
InChIKey
ONEHMWWDDDSJBB-UHFFFAOYSA-N
Physical Properties
Melting Point
194 - 195.5 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.26
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
108.07
TPSA
57.23
LogP / Solubility
WLOGP
4.43
MLOGP
3.92
XLogP3
3.8
Consensus LogP
4.05
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
-
-
-
CLOFOCTOL
- CAS RN: 37693-01-9
- Product Code: starshine_CAS37693-01-9
- Purity/Analytical method: >99.0%
-
-
