CAS RN: 330794-10-0
2-Boc-amino-3-chloro-pyridine-5-boronic acid pinacol ester
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.20260605 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS330794-10-0
- Purity/Analytical Methods: >99.0%
330794-10-0 / tert-butyl N-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Basic Information
CAS
330794-10-0
Multi CAS
Yes
Molecular Formula
C17H25BCLNO4
Molecular Weight
353.600000
Exact Mass
353.156516
InChI
InChI=1S/C17H25BClNO4/c1-15(2,3)22-14(21)20-13-9-8-11(10-12(13)19)18-23-16(4,5)17(6,7)24-18/h8-10H,1-7H3,(H,20,21)
InChIKey
AWETUPVLWRHMIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.02
TPSA
56.79
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
3.99
Consensus LogP
3.84
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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