CAS RN: 943552-31-6
5-Bromothiophene-2-boronic acid MIDA ester, 2-(5-Bromothiophen-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250504 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251124 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250509 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260127 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS943552-31-6
- Purity/Analytical Methods: >99.0%
943552-31-6 / 2-(5-bromothiophen-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Basic Information
CAS
943552-31-6
Multi CAS
No
Molecular Formula
B2C9H9O4RnS
Molecular Weight
317.960000
Exact Mass
316.952870
InChI
InChI=1S/C9H9BBrNO4S/c1-12-4-8(13)15-10(16-9(14)5-12)6-2-3-7(11)17-6/h2-3H,4-5H2,1H3
InChIKey
IHKDTCFWTZPRTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
67.09
TPSA
55.84
LogP / Solubility
WLOGP
0.24
MLOGP
0.22
XLogP3
0.24
Consensus LogP
0.23
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 943586-12-7 15-{[(1S)-1-carboxy-4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl]carbamoyl}pentadecanoic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
15-{[(1S)-1-carboxy-4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl]carbamoyl}pentadecanoic acid
- CAS RN: 943586-12-7
- Product Code: SSC-209077
-
-
Benzoic acid, 2-(broMoMethyl)-6-Methoxy-, Methyl ester
- CAS RN: 943595-13-9
- Product Code: SSC-209079
-
6-Bromo-7-methylquinazolin-4(3H)-one
- CAS RN: 943605-85-4
- Product Code: starshine_CAS943605-85-4
- Purity/Analytical method: >99.0%
-
6-methyl-5-nitroisoquinoline N-oxide
- CAS RN: 943606-83-5
- Product Code: starshine_CAS943606-83-5
- Purity/Analytical method: >99.0%
-
![CAS 943586-12-7 15-{[(1S)-1-carboxy-4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl]carbamoyl}pentadecanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/943586-12-7.gif)
