CAS RN: 1020657-86-6
9-ethyl-9H-carbazole-3-boronic acid pinacol ester
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250414 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1020657-86-6
- Purity/Analytical Methods: >99.0%
1020657-86-6 / 9-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
9-Ethyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-9H-carbazole | 9-Ethyl-3-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-9H-carbazole | RefChem:549367
Basic Information
CAS
1020657-86-6
Multi CAS
Yes
Molecular Formula
C20H24BNO2
Molecular Weight
321.200000
Exact Mass
321.190009
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)CC
InChI
InChI=1S/C20H24BNO2/c1-6-22-17-10-8-7-9-15(17)16-13-14(11-12-18(16)22)21-23-19(2,3)20(4,5)24-21/h7-13H,6H2,1-5H3
InChIKey
WZHQDHUWGUPVQF-UHFFFAOYSA-N
Synonyms
9-Ethyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-9H-carbazole
9-Ethyl-3-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-9H-carbazole
RefChem:549367
664-387-3
9-Ethyl-9H-carbazole-3-boronic acid pinacol ester
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
13
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
100.83
TPSA
23.39
LogP / Solubility
WLOGP
4.11
MLOGP
3.63
XLogP3
4.11
Consensus LogP
3.95
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
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)
-1.76
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
Not Classified
Reported as not meeting GHS hazard criteria by 38 of 39 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
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