CAS RN: 327099-80-9
4-bromo-1-methyl-1H-pyrazole-5-carbonitrile
- Product code: SSC-138398
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, 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.
327099-80-9 / 4-bromo-1-methylpyrazole-5-carbonitrile
Basic Information
CAS
327099-80-9
Multi CAS
No
Molecular Formula
BC5H4Rn3
Molecular Weight
186.010000
Exact Mass
184.958860
InChI
InChI=1S/C5H4BrN3/c1-9-5(2-7)4(6)3-8-9/h3H,1H3
InChIKey
MLHTXTFSAKYMMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
3
Molar refractivity
35.62
TPSA
41.61
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
1
Consensus LogP
0.99
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 327164-11-4 Uridine, 5′-O-(5-amino-5-deoxy-β-D-ribofuranosyl)-5′-C-[(2S,5S,6S)-5-carboxy-6-[[(3S)-3-[[(3S)-5-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-3-methyl-1,5-dioxopentyl]oxy]-14-methyl-1-oxopentadecyl]oxy]hexahydro-1,4-dimethyl-3-oxo-1H-1,4-diazepin-2-yl]-, (5’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/327164-11-4.gif)
