CAS RN: 109299-79-8
2,4-DI(TERT-BUTOXY)PYRIMIDIN-5-YLBORONIC ACID HYDRATE
- Product code: SSC-010553
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: 5g, 1g, 10g, 0.25g, 25g, 100g, 0.1g, 1000g
- Available purity: 97%
- Inventory rows with stock: 14
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | 97% | 5 In Stock | Hong Kong | Inquiry |
| 1g | -- | 4 In Stock | Hong Kong | Inquiry |
| 1g | 97% | 4 In Stock | Shanghai | Inquiry |
| 10g | -- | 4 In Stock | Hong Kong | Inquiry |
| 10g | 97% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | 97% | 3 In Stock | Hong Kong | Inquiry |
| 25g | -- | 3 In Stock | Beijing | Inquiry |
| 25g | 97% | 3 In Stock | Shenzhen | Inquiry |
| 100g | -- | 3 In Stock | Hong Kong | Inquiry |
| 100g | 97% | 3 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | 97% | 2 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
109299-79-8 / [2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acid
(2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid | 2,4-Di(tert-butoxy)pyrimidine-5-boronic acid | 2,4-ditert-butoxypyrimidin-5-ylboronic acid
Basic Information
CAS
109299-79-8
Multi CAS
Yes
Molecular Formula
C12H21BN2O4
Molecular Weight
268.120000
Exact Mass
268.159437
SMILES
B(C1=CN=C(N=C1OC(C)(C)C)OC(C)(C)C)(O)O
InChI
InChI=1S/C12H21BN2O4/c1-11(2,3)18-9-8(13(16)17)7-14-10(15-9)19-12(4,5)6/h7,16-17H,1-6H3
InChIKey
SOJAZSRAXNFWRH-UHFFFAOYSA-N
Synonyms
(2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid
2,4-Di(tert-butoxy)pyrimidine-5-boronic acid
2,4-ditert-butoxypyrimidin-5-ylboronic acid
2,4-Di-tert-butoxypyrimidine-5-boronic acid
MFCD01318980
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
72.62
TPSA
84.7
LogP / Solubility
WLOGP
0.51
MLOGP
0.46
XLogP3
0.51
Consensus LogP
0.49
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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