CAS RN: 1873364-17-0
9-(3,5-Dimethylphenyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260509 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1873364-17-0
- Purity/Analytical Methods: >99.0%
1873364-17-0 / 9-(3,5-dimethylphenyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
Basic Information
CAS
1873364-17-0
Multi CAS
No
Molecular Formula
C32H39B2NO4
Molecular Weight
523.300000
Exact Mass
523.306519
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3C5=CC(=CC(=C5)C)C)C=C(C=C4)B6OC(C(O6)(C)C)(C)C
InChI
InChI=1S/C32H39B2NO4/c1-20-15-21(2)17-24(16-20)35-27-18-22(33-36-29(3,4)30(5,6)37-33)11-13-25(27)26-14-12-23(19-28(26)35)34-38-31(7,8)32(9,10)39-34/h11-19H,1-10H3
InChIKey
BQWAHSRSGZDSEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
19
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
161.69
TPSA
41.85
LogP / Solubility
WLOGP
6
MLOGP
5.32
XLogP3
6
Consensus LogP
5.77
Log S (ESOL)
-7.03
Class (ESOL)
Insoluble
Log S (Ali)
-8.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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