![CAS 345986-38-1 2-(benzo[d]thiazol-2-yl)-2-(2-chloropyriMidin-4-yl)acetonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/345986-38-1.gif)
CAS RN: 345986-38-1
2-(benzo[d]thiazol-2-yl)-2-(2-chloropyriMidin-4-yl)acetonitrile
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.20250706 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS345986-38-1
- Purity/Analytical Methods: >99.0%
345986-38-1 / 2-(1,3-benzothiazol-2-yl)-2-(2-chloropyrimidin-4-yl)acetonitrile
Basic Information
CAS
345986-38-1
Multi CAS
No
Molecular Formula
C13H7CLN4S
Molecular Weight
286.740000
Exact Mass
286.007995
InChI
InChI=1S/C13H7ClN4S/c14-13-16-6-5-9(18-13)8(7-15)12-17-10-3-1-2-4-11(10)19-12/h1-6,8H
InChIKey
QVMKLKBODZHJDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
74.12
TPSA
62.46
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3
Consensus LogP
3.13
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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