CAS RN: 1257248-29-5
tert-butyl 3-bromo-9H-carbazole-9-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.20251201 | 1g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1257248-29-5
- Purity/Analytical Methods: >99.0%
1257248-29-5 / tert-butyl 3-bromocarbazole-9-carboxylate
Basic Information
CAS
1257248-29-5
Multi CAS
No
Molecular Formula
C17H16BrNO2
Molecular Weight
346.200000
Exact Mass
345.036440
SMILES
CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)C3=CC=CC=C31
InChI
InChI=1S/C17H16BrNO2/c1-17(2,3)21-16(20)19-14-7-5-4-6-12(14)13-10-11(18)8-9-15(13)19/h4-10H,1-3H3
InChIKey
KLZXRNUDFWYGGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
13
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
88.78
TPSA
31.23
LogP / Solubility
WLOGP
5.34
MLOGP
4.72
XLogP3
5.3
Consensus LogP
5.12
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
Ethyl 2-vinyloxazole-5-carboxylate
- CAS RN: 1257266-93-5
- Product Code: starshine_CAS1257266-93-5
- Purity/Analytical method: >99.0%
-
1-Boc-3-(3-oxo-1-piperazinyl)azetidine
- CAS RN: 1257293-71-2
- Product Code: starshine_CAS1257293-71-2
- Purity/Analytical method: >99.0%
-
1-Azetidinecarboxylic acid, 3-[(3S)-3-hydroxy-1-pyrrolidinyl]-,1,1-diMethylethyl ester
- CAS RN: 1257293-73-4
- Product Code: SSC-030977
-
1-Boc-3-(1-hydroxy-1-Methylethyl)-azetidine
- CAS RN: 1257293-79-0
- Product Code: SSC-030978
-
1-(Azetidin-3-yl)azetidin-3-ol
- CAS RN: 1257293-85-8
- Product Code: starshine_CAS1257293-85-8
- Purity/Analytical method: >99.0%
-
tert-Butyl 3-(3-hydroxyazetidin-1-yl)azetidine-1-carboxylate
- CAS RN: 1257293-86-9
- Product Code: SSC-030979
![CAS 1257293-73-4 1-Azetidinecarboxylic acid, 3-[(3S)-3-hydroxy-1-pyrrolidinyl]-,1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257293-73-4.gif)
