CAS RN: 827-60-1
1-(4-METHYLPHENYL)-1 H-PYRROLE
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.20260430 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS827-60-1
- Purity/Analytical Methods: >99.0%
827-60-1 / 1-(4-methylphenyl)pyrrole
Basic Information
CAS
827-60-1
Multi CAS
Yes
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
InChI
InChI=1S/C11H11N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-9H,1H3
InChIKey
VYUNLDVEMSMJNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.51
TPSA
4.93
LogP / Solubility
WLOGP
2.79
MLOGP
2.45
XLogP3
3.4
Consensus LogP
2.88
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
1H,2H-OCTAFLUOROCYCLOPENTANE
- CAS RN: 828-35-3
- Product Code: starshine_CAS828-35-3
- Purity/Analytical method: >99.0%
-
4-HYDROXYMETHYL-BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
- CAS RN: 828-52-4
- Product Code: starshine_CAS828-52-4
- Purity/Analytical method: >99.0%
-
![CAS 828-52-4 4-HYDROXYMETHYL-BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/828-52-4.gif)
