![CAS 1383982-64-6 Dispiro[cyclohexane-1,2′-[2H]indene-1′(3’H),2”-[2H]iMidazol]-4”-aMine, 4-Methoxy-5”-Methyl-6′-[5-(1-propyn-1-yl)-3-pyridinyl]-, (1α,1’R,4β)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1383982-64-6.gif)
CAS RN: 1383982-64-6
Dispiro[cyclohexane-1,2′-[2H]indene-1′(3’H),2”-[2H]iMidazol]-4”-aMine, 4-Methoxy-5”-Methyl-6′-[5-(1-propyn-1-yl)-3-pyridinyl]-, (1α,1’R,4β)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1383982-64-6
- Purity/Analytical Methods: >99.0%
1383982-64-6 / Dispiro[cyclohexane-1,2′-[2H]indene-1′(3’H),2”-[2H]iMidazol]-4”-aMine, 4-Methoxy-5”-Methyl-6′-[5-(1-propyn-1-yl)-3-pyridinyl]-, (1α,1’R,4β)-
Basic Information
CAS
1383982-64-6
Multi CAS
No
Molecular Formula
C26H28N4O
Molecular Weight
412.500000
Exact Mass
412.226312
SMILES
CC#CC1=CC(=CN=C1)C2=CC3=C(CC4([C@]35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2
InChI
InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1
InChIKey
WKDNQONLGXOZRG-BOPKNSRXSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
124.04
TPSA
72.86
LogP / Solubility
WLOGP
4.24
MLOGP
3.75
XLogP3
3
Consensus LogP
3.66
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.1
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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