CAS RN: 865304-71-8
5-(2-isopropyl-4-Methoxy-phenoxy)-pyriMidine-2,4-diaMine
- Product code: SSC-195678
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
865304-71-8 / 5-(4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
Basic Information
CAS
865304-71-8
Multi CAS
No
Molecular Formula
C14H18N4O2
Molecular Weight
274.320000
Exact Mass
274.142976
InChI
InChI=1S/C14H18N4O2/c1-8(2)10-6-9(19-3)4-5-11(10)20-12-7-17-14(16)18-13(12)15/h4-8H,1-3H3,(H4,15,16,17,18)
InChIKey
HIKYTWIVLKHYIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
78.01
TPSA
96.28
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
2.1
Consensus LogP
2.31
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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