CAS RN: 1927857-56-4
PQR620
Product Availability
Choose a grade to view its available package options.
7 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260522 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250716 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250904 | 10mg | Out of stock | Inquiry | ||
| Batchno.20260518 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250810 | 25mg | Out of stock | Inquiry | ||
| Batchno.20260615 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250107 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1927857-56-4
- Purity/Analytical Methods: >99.0%
1927857-56-4 / 5-[4,6-bis[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
Basic Information
CAS
1927857-56-4
Multi CAS
No
Molecular Formula
C21H25F2N7O2
Molecular Weight
445.500000
Exact Mass
445.203779
SMILES
C1C[C@H]2COC[C@@H]1N2C3=NC(=NC(=N3)C4=CN=C(C=C4C(F)F)N)N5[C@@H]6CC[C@H]5COC6
InChI
InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25)/t11-,12+,13-,14+
InChIKey
UGDKPWVVBKHRDK-KPWCQOOUSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
112.64
TPSA
102.52
LogP / Solubility
WLOGP
2.19
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
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)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
-
[1,1′-Biphenyl]-4-carbothioic acid, S-(trifluoromethyl) ester
- CAS RN: 1927969-10-5
- Product Code: SSC-090164
-
-
Pyrazine, 2,2′-[4-(4-bromophenyl)-2,6-pyridinediyl]bis-
- CAS RN: 1928706-28-8
- Product Code: starshine_CAS1928706-28-8
- Purity/Analytical method: >99.0%
-
Edoxaban Impurity 20 (1R,2R,4S)
- CAS RN: 1928729-31-0
- Product Code: starshine_CAS1928729-31-0
- Purity/Analytical method: >99.0%
-
ML418
- CAS RN: 1928763-08-9
- Product Code: starshine_CAS1928763-08-9
- Purity/Analytical method: >99.0%
![CAS 1927969-10-5 [1,1′-Biphenyl]-4-carbothioic acid, S-(trifluoromethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1927969-10-5.gif)
![CAS 1928706-28-8 Pyrazine, 2,2′-[4-(4-bromophenyl)-2,6-pyridinediyl]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1928706-28-8.gif)
