CAS RN: 529-69-1
ISOXANTHOPTERIN
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
- Product code: starshine_CAS529-69-1
- Purity/Analytical Methods: >99.0%
529-69-1 / 2-amino-3,8-dihydropteridine-4,7-dione
Basic Information
CAS
529-69-1
Multi CAS
Yes
Molecular Formula
C6H5N5O2
Molecular Weight
179.140000
Exact Mass
179.044324
InChI
InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
InChIKey
GLKCOBIIZKYKFN-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
45.19
TPSA
117.52
LogP / Solubility
WLOGP
-1.41
MLOGP
-1.24
XLogP3
-2.1
Consensus LogP
-1.58
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.35
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Anthracen-9-ol
- CAS RN: 529-86-2
- Product Code: starshine_CAS529-86-2
- Purity/Analytical method: >99.0%
-
PYRIDOXAMINE-5′-PHOSPHATE
- CAS RN: 529-96-4
- Product Code: starshine_CAS529-96-4
- Purity/Analytical method: >99.0%
-
L-PICEIN
- CAS RN: 530-14-3
- Product Code: starshine_CAS530-14-3
- Purity/Analytical method: >99.0%
-
MANNOSE
- CAS RN: 530-26-7
- Product Code: starshine_CAS530-26-7
- Purity/Analytical method: >99.0%
-
-
2,3-trimethylene-4-quinazolone
- CAS RN: 530-53-0
- Product Code: starshine_CAS530-53-0
- Purity/Analytical method: >99.0%
