CAS RN: 1217891-71-8
9-Methyl-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251108 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250218 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250116 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250519 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251108 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1217891-71-8
- Purity/Analytical Methods: >99.0%
1217891-71-8 / 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
Basic Information
CAS
1217891-71-8
Multi CAS
No
Molecular Formula
C19H22BNO2
Molecular Weight
307.200000
Exact Mass
307.174359
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C
InChI
InChI=1S/C19H22BNO2/c1-18(2)19(3,4)23-20(22-18)13-10-11-17-15(12-13)14-8-6-7-9-16(14)21(17)5/h6-12H,1-5H3
InChIKey
AVCKYKVGQYBADD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
13
Fraction Csp3
0.37
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
96.14
TPSA
23.39
LogP / Solubility
WLOGP
3.63
MLOGP
3.21
XLogP3
3.63
Consensus LogP
3.49
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
Customers Also Viewed
-
S-3,3′-Bis(4-(1,1-diMethylethyl)phenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate
- CAS RN: 1217901-32-0
- Product Code: SSC-024568
-
-
-
(R)-1-Cbz-3-(aMinoMethyl)piperidine
- CAS RN: 1217977-11-1
- Product Code: starshine_CAS1217977-11-1
- Purity/Analytical method: >99.0%
-
(S)-alpha-Methylaspartic acid-4-tert-butyl ester, 98% ee
- CAS RN: 1217977-71-3
- Product Code: SSC-024578
-
