CAS RN: 1014983-00-6
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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.20260406 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1014983-00-6
- Purity/Analytical Methods: >99.0%
1014983-00-6 / 4-[5-chloro-4-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]morpholine
4-(4-chloro-5-(2,5-dimethyl-7-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiazol-2-yl)morpholine | 4-[4-chloro-5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]morpholine | Tildacerfont?
Basic Information
CAS
1014983-00-6
Multi CAS
Yes
Molecular Formula
C20H26ClN5OS
Molecular Weight
420.000000
Exact Mass
419.154659
SMILES
CCC(CC)C1=CC(=NC2=C(C(=NN12)C)C3=C(SC(=N3)N4CCOCC4)Cl)C
InChI
InChI=1S/C20H26ClN5OS/c1-5-14(6-2)15-11-12(3)22-19-16(13(4)24-26(15)19)17-18(21)23-20(28-17)25-7-9-27-10-8-25/h11,14H,5-10H2,1-4H3
InChIKey
XVAWSBAQNIXMIO-UHFFFAOYSA-N
Synonyms
4-(4-chloro-5-(2,5-dimethyl-7-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiazol-2-yl)morpholine
4-[4-chloro-5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]morpholine
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Tildacerfont (USAN/INN)
orb1305248
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
14
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
114.93
TPSA
55.55
LogP / Solubility
WLOGP
4.86
MLOGP
4.31
XLogP3
4.7
Consensus LogP
4.62
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.03
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.83
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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