![CAS 2232877-38-0 2-Bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid hydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2232877-38-0.gif)
CAS RN: 2232877-38-0
2-Bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid hydrobromide
- Product code: SSC-108912
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2232877-38-0 / 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid;hydrobromide
Basic Information
CAS
2232877-38-0
Multi CAS
No
Molecular Formula
C5H3Br2N3O2S
Molecular Weight
328.970000
Exact Mass
328.829220
SMILES
C1=C(N=C2N1N=C(S2)Br)C(=O)O.Br
InChI
InChI=1S/C5H2BrN3O2S.BrH/c6-4-8-9-1-2(3(10)11)7-5(9)12-4;/h1H,(H,10,11);1H
InChIKey
FHDWFIMQVDRMEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
8
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.85
TPSA
67.49
LogP / Solubility
WLOGP
1.83
MLOGP
1.63
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
JI051
- CAS RN: 2234281-75-3
- Product Code: starshine_CAS2234281-75-3
- Purity/Analytical method: >99.0%
-
IDH1 Inhibitor 1
- CAS RN: 2234285-81-3
- Product Code: starshine_CAS2234285-81-3
- Purity/Analytical method: >99.0%
-
[1,1′-Biphenyl]-4-carbonitrile, 4′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthalenyl]-
- CAS RN: 2234895-19-1
- Product Code: starshine_CAS2234895-19-1
- Purity/Analytical method: >99.0%
-
GRP94
- CAS RN: 2234897-35-7
- Product Code: starshine_CAS2234897-35-7
- Purity/Analytical method: >99.0%
-
Deltasonamide 2 TFA
- CAS RN: 2235358-74-2
- Product Code: starshine_CAS2235358-74-2
- Purity/Analytical method: >99.0%
-
Quinoline, 8-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 2235386-14-6
- Product Code: starshine_CAS2235386-14-6
- Purity/Analytical method: >99.0%
![CAS 2234895-19-1 [1,1′-Biphenyl]-4-carbonitrile, 4′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthalenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2234895-19-1.gif)
