CAS RN: 68559-55-7
4-Oxo Ticlopidine
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.20260512 | 20mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS68559-55-7
- Purity/Analytical Methods: >99.0%
68559-55-7 / 5-[(2-chlorophenyl)methyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one
Basic Information
CAS
68559-55-7
Multi CAS
No
Molecular Formula
C14H12CLNOS
Molecular Weight
277.800000
Exact Mass
277.032813
InChI
InChI=1S/C14H12ClNOS/c15-12-4-2-1-3-10(12)9-16-7-5-13-11(14(16)17)6-8-18-13/h1-4,6,8H,5,7,9H2
InChIKey
KQQBLQBNIVSMLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
74.22
TPSA
20.31
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3.3
Consensus LogP
3.36
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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