CAS RN: 2096455-90-0
PF-3893787 hydrochloride
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.20250621 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2096455-90-0
- Purity/Analytical Methods: >99.0%
2096455-90-0 / 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;trihydrochloride
Basic Information
CAS
2096455-90-0
Multi CAS
No
Molecular Formula
C13H25Cl3N6
Molecular Weight
371.700000
Exact Mass
370.120628
SMILES
CN[C@@H]1CCN(C1)C2=NC(=NC(=C2)NCC3CC3)N.Cl.Cl.Cl
InChI
InChI=1S/C13H22N6.3ClH/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9;;;/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18);3*1H/t10-;;;/m1.../s1
InChIKey
ZAZAFXLCZSALFI-FYBBWCNBSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
99.08
TPSA
79.1
LogP / Solubility
WLOGP
1.94
MLOGP
1.73
XLogP3
1.94
Consensus LogP
1.87
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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