CAS RN: 171714-84-4
Darusentan
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260118 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250813 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260531 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260524 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260126 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250307 | 5mg | In stock | Shanghai | Inquiry |
- Product code: LIND888369
171714-84-4 / (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
Basic Information
CAS
171714-84-4
Multi CAS
No
Molecular Formula
C22H22N2O6
Molecular Weight
410.400000
Exact Mass
410.147786
SMILES
COC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
InChIKey
FEJVSJIALLTFRP-LJQANCHMSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
1
Molar refractivity
107.86
TPSA
100
LogP / Solubility
WLOGP
2.92
MLOGP
2.59
XLogP3
3.6
Consensus LogP
3.04
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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