![CAS 1223404-88-3 (R)-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1223404-88-3.gif)
CAS RN: 1223404-88-3
(R)-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
- Product code: SSC-025290
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1223404-88-3 / 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
Basic Information
CAS
1223404-88-3
Multi CAS
No
Molecular Formula
C16H15F2N5
Molecular Weight
315.320000
Exact Mass
315.129552
SMILES
C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)N)C4=C(C=CC(=C4)F)F
InChI
InChI=1S/C16H15F2N5/c17-10-3-4-12(18)11(8-10)14-2-1-6-22(14)15-5-7-23-16(21-15)13(19)9-20-23/h3-5,7-9,14H,1-2,6,19H2/t14-/m1/s1
InChIKey
PNTNLXBVYHOZQI-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.08
TPSA
59.45
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
2.3
Consensus LogP
2.61
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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