![CAS 639090-53-2 Cyclopropanecarboxylic acid [4-(4,6-dichloropyrimidin-2-ylsulfanyl)phenyl]amide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/639090-53-2.gif)
CAS RN: 639090-53-2
Cyclopropanecarboxylic acid [4-(4,6-dichloropyrimidin-2-ylsulfanyl)phenyl]amide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250617 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS639090-53-2
- Purity/Analytical Methods: >99.0%
639090-53-2 / N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
Basic Information
CAS
639090-53-2
Multi CAS
No
Molecular Formula
C14H11CL2N3OS
Molecular Weight
340.200000
Exact Mass
338.999989
InChI
InChI=1S/C14H11Cl2N3OS/c15-11-7-12(16)19-14(18-11)21-10-5-3-9(4-6-10)17-13(20)8-1-2-8/h3-8H,1-2H2,(H,17,20)
InChIKey
SXLCCHHKFISSGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.97
TPSA
54.88
LogP / Solubility
WLOGP
4.28
MLOGP
3.79
XLogP3
4.2
Consensus LogP
4.09
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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