CAS RN: 1256360-39-0
6-Chloro-1-methyl-2,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
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.20250208 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256360-39-0
- Purity/Analytical Methods: >99.0%
1256360-39-0 / 6-chloro-1-methyl-2,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
Basic Information
CAS
1256360-39-0
Multi CAS
No
Molecular Formula
C21H30B2ClNO4
Molecular Weight
417.500000
Exact Mass
417.204947
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC3=C2C=C(N3C)B4OC(C(O4)(C)C)(C)C)Cl
InChI
InChI=1S/C21H30B2ClNO4/c1-18(2)19(3,4)27-22(26-18)15-10-13(24)11-16-14(15)12-17(25(16)9)23-28-20(5,6)21(7,8)29-23/h10-12H,1-9H3
InChIKey
HJRPKIBXUGLANV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
119.36
TPSA
41.85
LogP / Solubility
WLOGP
3.43
MLOGP
3.04
XLogP3
3.43
Consensus LogP
3.3
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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
Yes
Log Kp (skin permeation)
-2.83
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
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