![CAS 1356165-79-1 [1,5]naphthyridine-3-boronic acid pinacol ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1356165-79-1.gif)
CAS RN: 1356165-79-1
[1,5]naphthyridine-3-boronic acid pinacol ester
- Product code: SSC-044142
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 | Beijing | Inquiry |
1356165-79-1 / 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridine
Basic Information
CAS
1356165-79-1
Multi CAS
No
Molecular Formula
C14H17BN2O2
Molecular Weight
256.110000
Exact Mass
256.138308
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CC=N3)N=C2
InChI
InChI=1S/C14H17BN2O2/c1-13(2)14(3,4)19-15(18-13)10-8-12-11(17-9-10)6-5-7-16-12/h5-9H,1-4H3
InChIKey
ZLJJTKKBVUARJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
75.25
TPSA
44.24
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.93
Consensus LogP
1.85
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
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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