CAS RN: 378236-67-0
Ticagrelor Related Compound 8
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.20251123 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINT915881
378236-67-0 / trans-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbonyl azide
Basic Information
CAS
378236-67-0
Multi CAS
Yes
Molecular Formula
C10F2H7N3O
Molecular Weight
223.180000
Exact Mass
223.055718
InChI
InChI=1S/C10H7F2N3O/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(16)14-15-13/h1-3,6-7H,4H2/t6-,7+/m0/s1
InChIKey
ILOVAIMDRIXGIU-NKWVEPMBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
51.36
TPSA
65.83
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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