CAS RN: 1260383-46-7
7-Methyl-4-indolecarboxylic acid Methyl ester
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.20251005 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1260383-46-7
- Purity/Analytical Methods: >99.0%
1260383-46-7 / methyl 7-methyl-1H-indole-4-carboxylate
Basic Information
CAS
1260383-46-7
Multi CAS
No
Molecular Formula
C11H11NO2
Molecular Weight
189.210000
Exact Mass
189.078979
SMILES
CC1=C2C(=C(C=C1)C(=O)OC)C=CN2
InChI
InChI=1S/C11H11NO2/c1-7-3-4-9(11(13)14-2)8-5-6-12-10(7)8/h3-6,12H,1-2H3
InChIKey
CKJRNSNZWAQOKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.38
TPSA
42.09
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.3
Consensus LogP
2.18
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.27
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
-
4-BroMo-2-Methyl-1H-indole-6-carboxylic acid Methyl ester
- CAS RN: 1260383-49-0
- Product Code: SSC-031571
-
-
-
6-Chloro-2-iodo-4-azaindole
- CAS RN: 1260383-53-6
- Product Code: starshine_CAS1260383-53-6
- Purity/Analytical method: >99.0%
-
3-Iodo-5-azaindole-2-carboxylic acid ethyl ester
- CAS RN: 1260383-69-4
- Product Code: starshine_CAS1260383-69-4
- Purity/Analytical method: >99.0%
-
