![CAS 2374152-83-5 6-Chloro-5-methyl-1-(tetrahydro-pyran-2-yl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2374152-83-5.gif)
CAS RN: 2374152-83-5
6-Chloro-5-methyl-1-(tetrahydro-pyran-2-yl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indazole
- Product code: SSC-115346
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
2374152-83-5 / 6-chloro-5-methyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
Basic Information
CAS
2374152-83-5
Multi CAS
No
Molecular Formula
C19H26BClN2O3
Molecular Weight
376.700000
Exact Mass
376.172501
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=NN(C3=CC(=C2C)Cl)C4CCCCO4
InChI
InChI=1S/C19H26BClN2O3/c1-12-14(21)10-15-13(11-22-23(15)16-8-6-7-9-24-16)17(12)20-25-18(2,3)19(4,5)26-20/h10-11,16H,6-9H2,1-5H3
InChIKey
PXNQJUMDHWXYFI-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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