CAS RN: 1131735-94-8
4-(diisopropylcarbaMoyl)-2-ethoxypyridin-3-ylboronic 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.20250411 | 200mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-013360
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 |
1131735-94-8 / [4-[di(propan-2-yl)carbamoyl]-2-ethoxy-3-pyridinyl]boronic acid
(4-(Diisopropylcarbamoyl)-2-ethoxypyridin-3-yl)boronic acid | 4-(diisopropylcarbamoyl)-2-ethoxypyridin-3-ylboronic acid | [4-[di(propan-2-yl)carbamoyl]-2-ethoxypyridin-3-yl]boronic acid
Basic Information
CAS
1131735-94-8
Multi CAS
No
Molecular Formula
C14H23BN2O4
Molecular Weight
294.160000
Exact Mass
294.175087
SMILES
B(C1=C(C=CN=C1OCC)C(=O)N(C(C)C)C(C)C)(O)O
InChI
InChI=1S/C14H23BN2O4/c1-6-21-13-12(15(19)20)11(7-8-16-13)14(18)17(9(2)3)10(4)5/h7-10,19-20H,6H2,1-5H3
InChIKey
ANZPBKCEGYLFFT-UHFFFAOYSA-N
Synonyms
(4-(Diisopropylcarbamoyl)-2-ethoxypyridin-3-yl)boronic acid
4-(diisopropylcarbamoyl)-2-ethoxypyridin-3-ylboronic acid
[4-[di(propan-2-yl)carbamoyl]-2-ethoxypyridin-3-yl]boronic acid
{4-[bis(propan-2-yl)carbamoyl]-2-ethoxypyridin-3-yl}boronic acid
{4-[Di(propan-2-yl)carbamoyl]-2-ethoxypyridin-3-yl}boronic acid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.67
TPSA
82.89
LogP / Solubility
WLOGP
0.42
MLOGP
0.38
XLogP3
0.42
Consensus LogP
0.41
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-4.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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