![CAS 494799-64-3 3-cyclohexenyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/494799-64-3.gif)
CAS RN: 494799-64-3
3-cyclohexenyl-1H-pyrrolo[2,3-b]pyridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260502 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS494799-64-3
- Purity/Analytical Methods: >99.0%
494799-64-3 / 3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
494799-64-3
Multi CAS
Yes
Molecular Formula
C13H14N2
Molecular Weight
198.260000
Exact Mass
198.115698
InChI
InChI=1S/C13H14N2/c1-2-5-10(6-3-1)12-9-15-13-11(12)7-4-8-14-13/h4-5,7-9H,1-3,6H2,(H,14,15)
InChIKey
MCTSKAZVCYASEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.54
TPSA
28.68
LogP / Solubility
WLOGP
3.52
MLOGP
3.1
XLogP3
3
Consensus LogP
3.21
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 494830-67-0 N,N’-1,2-ethanediylbis[2-(4-tert-butylphenoxy)acetamide] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/494830-67-0.gif)
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