![CAS 89169-57-3 CYCLOPENT[B]INDOLE, 1,2,3,4-TETRAHYDRO-7-METHOXY- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89169-57-3.gif)
CAS RN: 89169-57-3
CYCLOPENT[B]INDOLE, 1,2,3,4-TETRAHYDRO-7-METHOXY-
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260601 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS89169-57-3
- Purity/Analytical Methods: >99.0%
89169-57-3 / 7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indole
Basic Information
CAS
89169-57-3
Multi CAS
No
Molecular Formula
C12H13NO
Molecular Weight
187.240000
Exact Mass
187.099714
InChI
InChI=1S/C12H13NO/c1-14-8-5-6-12-10(7-8)9-3-2-4-11(9)13-12/h5-7,13H,2-4H2,1H3
InChIKey
HONJGUSMTAVGKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.88
TPSA
25.02
LogP / Solubility
WLOGP
2.67
MLOGP
2.34
XLogP3
2.7
Consensus LogP
2.57
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 89179-69-1
- Product Code: starshine_CAS89179-69-1
- Purity/Analytical method: >99.0%
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