CAS RN: 767612-34-0
“trans-Clopidogrel Thiol Metabolite(Mixture of Diastereomers)Discontinued”
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.20260426 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS767612-34-0
- Purity/Analytical Methods: >99.0%
767612-34-0 / (2E)-2-[1-[1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid
Basic Information
CAS
767612-34-0
Multi CAS
Yes
Molecular Formula
C16H18CLNO4S
Molecular Weight
355.800000
Exact Mass
355.064507
InChI
InChI=1S/C16H18ClNO4S/c1-22-16(21)15(11-4-2-3-5-12(11)17)18-7-6-13(23)10(9-18)8-14(19)20/h2-5,8,13,15,23H,6-7,9H2,1H3,(H,19,20)/b10-8+
InChIKey
CWUDNVCEAAXNQA-CSKARUKUSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
90.89
TPSA
66.84
LogP / Solubility
WLOGP
2.57
MLOGP
2.28
XLogP3
-0.1
Consensus LogP
1.58
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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