CAS RN: 1086392-26-8
1H-Indole-1-carboxylicacid,6-(aMinoMethyl)-2,3-dihydro-,1,1-diMethylethylester
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.20260222 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1086392-26-8
- Purity/Analytical Methods: >99.0%
1086392-26-8 / tert-butyl 6-(aminomethyl)-2,3-dihydroindole-1-carboxylate
tert-Butyl 6-(aminomethyl)indoline-1-carboxylate | 6-AMINOMETHYL-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | MFCD11506109
Basic Information
CAS
1086392-26-8
Multi CAS
No
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)CN
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-11-5-4-10(9-15)8-12(11)16/h4-5,8H,6-7,9,15H2,1-3H3
InChIKey
WWKXEECKCJDNGY-UHFFFAOYSA-N
Synonyms
tert-Butyl 6-(aminomethyl)indoline-1-carboxylate
6-AMINOMETHYL-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
MFCD11506109
tert-butyl 6-(aminomethyl)-2,3-dihydroindole-1-carboxylate
tert-Butyl 6-(aminomethyl)-2,3-dihydro-1H-indole-1-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.62
TPSA
55.56
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
1.6
Consensus LogP
2.07
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(2,3-Dihydro-1H-indol-3-yl)-carbamic acid tert-butyl ester
- CAS RN: 1086392-28-0
- Product Code: SSC-009922
-
Ethyl 4-broMo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
- CAS RN: 1086392-42-8
- Product Code: starshine_CAS1086392-42-8
- Purity/Analytical method: >99.0%
-
8-Chloro-1,2,3,4-tetrahydro-[1,7]naphthyridine
- CAS RN: 1086392-56-4
- Product Code: starshine_CAS1086392-56-4
- Purity/Analytical method: >99.0%
-
-
-
2,2,2-TRIFLUORO-1-(4-METHOXY-1H-INDOL-3-YL)ETHANONE
- CAS RN: 1086393-41-0
- Product Code: SSC-009929
![CAS 1086392-42-8 Ethyl 4-broMo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1086392-42-8.gif)
![CAS 1086392-56-4 8-Chloro-1,2,3,4-tetrahydro-[1,7]naphthyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1086392-56-4.gif)
