CAS RN: 1814938-78-7
(2-(Methoxycarbonyl)pyriMidin-5-yl)boronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-082490
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 |
1814938-78-7 / (2-methoxycarbonylpyrimidin-5-yl)boronic acid
Basic Information
CAS
1814938-78-7
Multi CAS
No
Molecular Formula
C6H7BN2O4
Molecular Weight
181.940000
Exact Mass
182.049887
SMILES
B(C1=CN=C(N=C1)C(=O)OC)(O)O
InChI
InChI=1S/C6H7BN2O4/c1-13-6(10)5-8-2-4(3-9-5)7(11)12/h2-3,11-12H,1H3
InChIKey
QJBIYMZDLMVGCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
43.2
TPSA
92.54
LogP / Solubility
WLOGP
-2.06
MLOGP
-1.81
XLogP3
-2.06
Consensus LogP
-1.98
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.43
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.62
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)
-5.29
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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