CAS RN: 2130896-19-2
5-Chloro-6-(morpholino)pyridine-3-boronic acid
- Product code: SSC-101744
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2130896-19-2 / (5-chloro-6-morpholin-4-yl-3-pyridinyl)boronic acid
Basic Information
CAS
2130896-19-2
Multi CAS
No
Molecular Formula
C9H12BClN2O3
Molecular Weight
242.470000
Exact Mass
242.062950
SMILES
B(C1=CC(=C(N=C1)N2CCOCC2)Cl)(O)O
InChI
InChI=1S/C9H12BClN2O3/c11-8-5-7(10(14)15)6-12-9(8)13-1-3-16-4-2-13/h5-6,14-15H,1-4H2
InChIKey
MWNZQPQVKHVBEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
62.1
TPSA
65.82
LogP / Solubility
WLOGP
-0.75
MLOGP
-0.65
XLogP3
-0.75
Consensus LogP
-0.72
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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