![CAS 2135871-21-3 phenyl (R)-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2135871-21-3.png)
CAS RN: 2135871-21-3
phenyl (R)-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)carbamate
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.20250228 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2135871-21-3
- Purity/Analytical Methods: >99.0%
2135871-21-3 / phenyl N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamate
Basic Information
CAS
2135871-21-3
Multi CAS
No
Molecular Formula
C23H19F2N5O2
Molecular Weight
435.400000
Exact Mass
435.150681
SMILES
C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)OC4=CC=CC=C4)C5=C(C=CC(=C5)F)F
InChI
InChI=1S/C23H19F2N5O2/c24-15-8-9-18(25)17(13-15)20-7-4-11-29(20)21-10-12-30-22(28-21)19(14-26-30)27-23(31)32-16-5-2-1-3-6-16/h1-3,5-6,8-10,12-14,20H,4,7,11H2,(H,27,31)/t20-/m1/s1
InChIKey
NIGFVSJQARITLT-HXUWFJFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
114.75
TPSA
71.76
LogP / Solubility
WLOGP
4.96
MLOGP
4.39
XLogP3
4.1
Consensus LogP
4.48
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 2136287-62-0 “7-(benzyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione, hemihydrate” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2136287-62-0.png)
