CAS RN: 1883347-28-1
1-(5-Bromopyridin-3-yl)-2,2,2-trifluoroethanone hydrochloride
- Product code: SSC-087594
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 | Shanghai | Inquiry |
1883347-28-1 / 1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanone;hydrochloride
Basic Information
CAS
1883347-28-1
Multi CAS
No
Molecular Formula
C7H4BrClF3NO
Molecular Weight
290.460000
Exact Mass
288.911690
SMILES
C1=C(C=NC=C1Br)C(=O)C(F)(F)F.Cl
InChI
InChI=1S/C7H3BrF3NO.ClH/c8-5-1-4(2-12-3-5)6(13)7(9,10)11;/h1-3H;1H
InChIKey
RSBFCATUZMLWIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.57
TPSA
29.96
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
3.01
Consensus LogP
2.89
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-2.35
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
-
![CAS 1883347-31-6 Methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate hydrobromide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate hydrobromide
- CAS RN: 1883347-31-6
- Product Code: starshine_CAS1883347-31-6
- Purity/Analytical method: >99.0%
-
4-Acetoxy-3-(cyclopropylmethoxy)benzoic acid
- CAS RN: 1883347-32-7
- Product Code: starshine_CAS1883347-32-7
- Purity/Analytical method: >99.0%
-
2-Methyl-8-[4-(1-methylethyl)-2-pyridinyl)benzofuro[2,3-b]pyridine
- CAS RN: 1883375-18-5
- Product Code: SSC-087595
-
8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methylBenzofuro[2,3-b]pyridine
- CAS RN: 1883377-30-7
- Product Code: SSC-087596
-
Ac-CNP
- CAS RN: 1883400-34-7
- Product Code: starshine_CAS1883400-34-7
- Purity/Analytical method: >99.0%
-
(S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
- CAS RN: 1883423-59-3
- Product Code: SSC-087598
![CAS 1883347-31-6 Methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate hydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883347-31-6.gif)
![CAS 1883375-18-5 2-Methyl-8-[4-(1-methylethyl)-2-pyridinyl)benzofuro[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883375-18-5.gif)
![CAS 1883377-30-7 8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methylBenzofuro[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883377-30-7.gif)
![CAS 1883423-59-3 (S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883423-59-3.gif)