CAS RN: 950752-52-0
4-chloro-N-(3-chlorophenyl)pyrimidin-2-amine
- Product code: SSC-210280
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
950752-52-0 / 4-chloro-N-(3-chlorophenyl)pyrimidin-2-amine
Basic Information
CAS
950752-52-0
Multi CAS
No
Molecular Formula
C10H7CL2N3
Molecular Weight
240.090000
Exact Mass
239.001703
InChI
InChI=1S/C10H7Cl2N3/c11-7-2-1-3-8(6-7)14-10-13-5-4-9(12)15-10/h1-6H,(H,13,14,15)
InChIKey
CJBHZQJLFPOTCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.78
TPSA
37.81
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
3.7
Consensus LogP
3.45
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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