CAS RN: 942070-22-6
2-(2,5-Dibromo-3-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Product code: SSC-208787
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
942070-22-6 / 2-(2,5-dibromothiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
942070-22-6
Multi CAS
No
Molecular Formula
C10H13BBR2O2S
Molecular Weight
367.900000
Exact Mass
367.907560
InChI
InChI=1S/C10H13BBr2O2S/c1-9(2)10(3,4)15-11(14-9)6-5-7(12)16-8(6)13/h5H,1-4H3
InChIKey
FBVYFWMGZNOTBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
75.44
TPSA
18.46
LogP / Solubility
WLOGP
3.57
MLOGP
3.16
XLogP3
3.57
Consensus LogP
3.43
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.43
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
1.5
Customers Also Viewed
-
5-ACETYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER
- CAS RN: 942070-32-8
- Product Code: SSC-208788
-
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile
- CAS RN: 942070-34-0
- Product Code: SSC-208789
-
1-BOC-2-(methoxycarbonyl)pyrrole-4-boronic acid
- CAS RN: 942070-38-4
- Product Code: SSC-208790
-
-
1-Boc-7-Azaindole-3-boronic acid pinacol ester
- CAS RN: 942070-47-5
- Product Code: SSC-208792
-
t-Butyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine-1-carboxylate95%
- CAS RN: 942070-54-4
- Product Code: starshine_CAS942070-54-4
- Purity/Analytical method: >99.0%
![CAS 942070-54-4 t-Butyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine-1-carboxylate95% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942070-54-4.gif)