CAS RN: 16423-76-0
ethyl 3,5-dimethyl-1H-indole-2-carboxylate
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.20250507 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS16423-76-0
- Purity/Analytical Methods: >99.0%
16423-76-0 / ethyl 3,5-dimethyl-1H-indole-2-carboxylate
Basic Information
CAS
16423-76-0
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
SMILES
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)C
InChI
InChI=1S/C13H15NO2/c1-4-16-13(15)12-9(3)10-7-8(2)5-6-11(10)14-12/h5-7,14H,4H2,1-3H3
InChIKey
SOBSEOUZZDHRIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.73
TPSA
42.09
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
3.3
Consensus LogP
2.96
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
L-Serine hydrochloride
- CAS RN: 16428-75-4
- Product Code: starshine_CAS16428-75-4
- Purity/Analytical method: >99.0%
-
5-Bromo-3-chlorophenylene-1,2-diamine, 5-Bromo-3-chloro-1,2-diaminobenzene
- CAS RN: 16429-44-0
- Product Code: SSC-071709
-
4-Methoxynaphthalen-1-aMine
- CAS RN: 16430-99-2
- Product Code: starshine_CAS16430-99-2
- Purity/Analytical method: >99.0%
-
-
gamma-methylbenzenebutanoic acid
- CAS RN: 16433-43-5
- Product Code: starshine_CAS16433-43-5
- Purity/Analytical method: >99.0%
-
