![CAS 756817-82-0 Boronic acid, [2-(dimethylamino)-5-pyrimidinyl]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/756817-82-0.gif)
CAS RN: 756817-82-0
Boronic acid, [2-(dimethylamino)-5-pyrimidinyl]- (9CI)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-185124
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: 0.25g, 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.
756817-82-0 / [2-(dimethylamino)pyrimidin-5-yl]boronic acid
Basic Information
CAS
756817-82-0
Multi CAS
No
Molecular Formula
BC6H10N3O2
Molecular Weight
166.980000
Exact Mass
167.086607
InChI
InChI=1S/C6H10BN3O2/c1-10(2)6-8-3-5(4-9-6)7(11)12/h3-4,11-12H,1-2H3
InChIKey
JHGMROYFIMQNCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
46.18
TPSA
69.48
LogP / Solubility
WLOGP
-1.78
MLOGP
-1.57
XLogP3
-1.78
Consensus LogP
-1.71
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.35
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.49
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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