CAS RN: 1305320-64-2
N-Boc-3-bromo-4-methylindole
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.20260204 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-037154
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1305320-64-2 / tert-butyl 3-bromo-4-methylindole-1-carboxylate
Basic Information
CAS
1305320-64-2
Multi CAS
No
Molecular Formula
C14H16BrNO2
Molecular Weight
310.190000
Exact Mass
309.036440
SMILES
CC1=C2C(=CC=C1)N(C=C2Br)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H16BrNO2/c1-9-6-5-7-11-12(9)10(15)8-16(11)13(17)18-14(2,3)4/h5-8H,1-4H3
InChIKey
QWVXXRZFCVHOPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
76.01
TPSA
31.23
LogP / Solubility
WLOGP
4.5
MLOGP
3.97
XLogP3
4.3
Consensus LogP
4.26
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
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)
-1.42
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
-
-
5-(4-Chlorophenyl)-4-(3-iodophenyl)-1,2-dimethylpyrrole-3-carboxylic Acid
- CAS RN: 1305320-66-4
- Product Code: SSC-037156
-
-
N-(2-AMinoethyl)-2-[5-(3-phenoxyphenyl)-2H-tetrazol-2-yl]acetaMide
- CAS RN: 1305320-68-6
- Product Code: SSC-037158
-
1-Boc-3-(1-phenylethylaMino)-4-piperidineMethanol
- CAS RN: 1305320-69-7
- Product Code: SSC-037159
-
(S)-3-Hydroxy-N,N-diMethylpyrrolidine-1-carboxaMide
- CAS RN: 1305322-89-7
- Product Code: SSC-037160
![CAS 1305320-68-6 N-(2-AMinoethyl)-2-[5-(3-phenoxyphenyl)-2H-tetrazol-2-yl]acetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1305320-68-6.gif)
