CAS RN: 2374152-77-7
5-chloro-6-methyl-1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
- Product code: SSC-115345
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: 1g, 0.1g, 0.25g, 10g, 5g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
2374152-77-7 / 5-chloro-6-methyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
Basic Information
CAS
2374152-77-7
Multi CAS
No
Molecular Formula
C19H26BClN2O3
Molecular Weight
376.700000
Exact Mass
376.172501
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC3=C2C=NN3C4CCCCO4)C)Cl
InChI
InChI=1S/C19H26BClN2O3/c1-12-10-14-13(11-22-23(14)15-8-6-7-9-24-15)16(17(12)21)20-25-18(2,3)19(4,5)26-20/h10-11,15H,6-9H2,1-5H3
InChIKey
KCKRHFVRHRLKBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
104.04
TPSA
45.51
LogP / Solubility
WLOGP
4
MLOGP
3.54
XLogP3
4
Consensus LogP
3.85
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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
Yes
Log Kp (skin permeation)
-2.18
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
3.5
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