CAS RN: 875781-62-7
5-(ETHOXYCARBONYL)-3-PYRIDINYL BORONIC ACID
- Product code: SSC-197710
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
875781-62-7 / (5-ethoxycarbonyl-3-pyridinyl)boronic acid
Basic Information
CAS
875781-62-7
Multi CAS
Yes
Molecular Formula
BC8H10NO4
Molecular Weight
194.980000
Exact Mass
195.070288
InChI
InChI=1S/C8H10BNO4/c1-2-14-8(11)6-3-7(9(12)13)5-10-4-6/h3-5,12-13H,2H2,1H3
InChIKey
ANWGKOKCTGJGCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
50.02
TPSA
79.65
LogP / Solubility
WLOGP
-1.06
MLOGP
-0.94
XLogP3
-1.06
Consensus LogP
-1.02
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-4.66
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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