CAS RN: 1000023-04-0
Voruciclib
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1000023-04-0
- Purity/Analytical Methods: >99.0%
1000023-04-0 / 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one
SCHEMBL2446321 | MRPGRAKIAJJGMM-UHFFFAOYSA-N | SB16890
Basic Information
CAS
1000023-04-0
Multi CAS
Yes
Molecular Formula
C22H19ClF3NO5
Molecular Weight
469.800000
Exact Mass
469.090385
SMILES
CN1CC[C@H]([C@@H]1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C(F)(F)F)Cl)O)O
InChI
InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1
InChIKey
MRPGRAKIAJJGMM-OCCSQVGLSA-N
Synonyms
SCHEMBL2446321
MRPGRAKIAJJGMM-UHFFFAOYSA-N
SB16890
P1446A05 pound>> P1446A-05 pound>> P1446A 05 pound>>UNII-W66XP666AM
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
112.12
TPSA
94.14
LogP / Solubility
WLOGP
4.32
MLOGP
3.84
XLogP3
4.1
Consensus LogP
4.09
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.66
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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