CAS RN: 1644156-80-8
DHODH-IN-2
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.20260402 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1644156-80-8
- Purity/Analytical Methods: >99.0%
1644156-80-8 / 2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-ethylpyrimidine
Basic Information
CAS
1644156-80-8
Multi CAS
No
Molecular Formula
C18H19BrN4O2
Molecular Weight
403.300000
Exact Mass
402.069140
SMILES
CCC1=CN=C(N=C1)N2C(=C(C(=N2)OCC)OC3=CC=CC=C3Br)C
InChI
InChI=1S/C18H19BrN4O2/c1-4-13-10-20-18(21-11-13)23-12(3)16(17(22-23)24-5-2)25-15-9-7-6-8-14(15)19/h6-11H,4-5H2,1-3H3
InChIKey
SNDPFEDGFPXNIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
98.65
TPSA
62.06
LogP / Solubility
WLOGP
4.49
MLOGP
3.97
XLogP3
4.6
Consensus LogP
4.35
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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