![CAS 251102-32-6 7-Bromopyrrolo[1,2-c]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/251102-32-6.gif)
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
251102-32-6 / 7-bromopyrrolo[1,2-c]pyrimidine
Basic Information
CAS
251102-32-6
Multi CAS
No
Molecular Formula
C7H5BrN2
Molecular Weight
197.030000
Exact Mass
195.963610
SMILES
C1=CN=CN2C1=CC=C2Br
InChI
InChI=1S/C7H5BrN2/c8-7-2-1-6-3-4-9-5-10(6)7/h1-5H
InChIKey
XVYNQEWXANSCFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
42.89
TPSA
17.3
LogP / Solubility
WLOGP
2.1
MLOGP
1.84
XLogP3
2.9
Consensus LogP
2.28
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-2.43
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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