![CAS 912569-69-8 4-[4-(Chloromethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/912569-69-8.gif)
CAS RN: 912569-69-8
4-[4-(Chloromethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
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.20250827 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS912569-69-8
- Purity/Analytical Methods: >99.0%
912569-69-8 / 4-[4-(chloromethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
Basic Information
CAS
912569-69-8
Multi CAS
No
Molecular Formula
C12H14CLN3S
Molecular Weight
267.780000
Exact Mass
267.059696
InChI
InChI=1S/C12H14ClN3S/c13-7-9-1-4-16(5-2-9)12-11-10(3-6-17-11)14-8-15-12/h3,6,8-9H,1-2,4-5,7H2
InChIKey
FWDQRROENFHLAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
73.07
TPSA
29.02
LogP / Solubility
WLOGP
3.15
MLOGP
2.78
XLogP3
2.6
Consensus LogP
2.84
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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