CAS RN: 443103-97-7
CPI-444
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock3 grade groups
- Product code: starshine_CAS443103-97-7
- Purity/Analytical Methods: >99.0%
443103-97-7 / 1-[(2-fluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
Basic Information
CAS
443103-97-7
Multi CAS
No
Molecular Formula
C16FH12N5O
Molecular Weight
309.300000
Exact Mass
309.102588
InChI
InChI=1S/C16H12FN5O/c17-12-5-2-1-4-10(12)9-22-15-11(8-19-22)14(20-16(18)21-15)13-6-3-7-23-13/h1-8H,9H2,(H2,18,20,21)
InChIKey
JEEJMSUHUZNTCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
20
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
82.94
TPSA
82.76
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
2.3
Consensus LogP
2.56
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
-
ARACHIDONIC ACID-(2-AMINOETHYL)-ESTER HYDROCHLORIDE
- CAS RN: 443129-35-9
- Product Code: starshine_CAS443129-35-9
- Purity/Analytical method: >99.0%
-
-
-
-
