![CAS 1416713-91-1 5-BroMo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416713-91-1.gif)
CAS RN: 1416713-91-1
5-BroMo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine
- Product code: SSC-052201
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 |
1416713-91-1 / 5-bromo-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
Basic Information
CAS
1416713-91-1
Multi CAS
No
Molecular Formula
C11H11BrIN3O
Molecular Weight
408.030000
Exact Mass
406.913020
SMILES
C1CCOC(C1)N2C3=C(C=C(C=N3)Br)C(=N2)I
InChI
InChI=1S/C11H11BrIN3O/c12-7-5-8-10(13)15-16(11(8)14-6-7)9-3-1-2-4-17-9/h5-6,9H,1-4H2
InChIKey
DGCHNGCFSBVHHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
76.79
TPSA
39.94
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
3
Consensus LogP
3.2
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1416713-95-5 3-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine
- CAS RN: 1416713-95-5
- Product Code: SSC-052202
-
5-tert-butyl-2′,3′,5′,6′-tetramethylbiphenyl-2-ol
- CAS RN: 1416713-98-8
- Product Code: SSC-052203
-
4-bromo-1-cyclopropyl-1H-benzo[d]imidazol-2(3H)-one
- CAS RN: 1416714-00-5
- Product Code: SSC-052204
-
-
(5-broMo-3-chloropyridin-2-yl)MethanaMine hydrochloride
- CAS RN: 1416714-02-7
- Product Code: SSC-052206
-
![CAS 1416713-95-5 3-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416713-95-5.gif)
![CAS 1416714-00-5 4-bromo-1-cyclopropyl-1H-benzo[d]imidazol-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416714-00-5.gif)
![CAS 1416714-01-6 thieno[3,2-b]pyridine-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416714-01-6.gif)
