![CAS 1247422-94-1 Thieno[2,3-d]pyrimidine, 4-chloro-2-cyclopropyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1247422-94-1.gif)
CAS RN: 1247422-94-1
Thieno[2,3-d]pyrimidine, 4-chloro-2-cyclopropyl-
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.20251223 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1247422-94-1
- Purity/Analytical Methods: >99.0%
1247422-94-1 / 4-chloro-2-cyclopropylthieno[2,3-d]pyrimidine
Basic Information
CAS
1247422-94-1
Multi CAS
No
Molecular Formula
C9H7ClN2S
Molecular Weight
210.680000
Exact Mass
210.001847
SMILES
C1CC1C2=NC3=C(C=CS3)C(=N2)Cl
InChI
InChI=1S/C9H7ClN2S/c10-7-6-3-4-13-9(6)12-8(11-7)5-1-2-5/h3-5H,1-2H2
InChIKey
RNHVQHFKLFHTHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.4
TPSA
25.78
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
3.1
Consensus LogP
3.05
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
Propanenitrile, 2-(4-formylphenoxy)-
- CAS RN: 1247474-36-7
- Product Code: starshine_CAS1247474-36-7
- Purity/Analytical method: >99.0%
-
-
2-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)ethanaMine
- CAS RN: 1247501-81-0
- Product Code: SSC-028931
-
6-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
- CAS RN: 1247503-48-5
- Product Code: SSC-028932
