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CAS 1227700-45-9 6-Methoxypyridine-2-boronic acid MIDA ester molecular structure lightbox
CAS RN: 1227700-45-9

6-Methoxypyridine-2-boronic acid MIDA ester

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260624 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250804 250mg Out of stock Inquiry
Batchno.20250118 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250317 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS1227700-45-9
  • Purity/Analytical Methods: >99.0%
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1227700-45-9 / 2-(6-methoxy-2-pyridinyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Standard CAS: 1227700-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227700-45-9
Multi CAS
No
Molecular Formula
C11H13BN2O5
Molecular Weight
264.040000
Exact Mass
264.091752
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=NC(=CC=C2)OC
InChI
InChI=1S/C11H13BN2O5/c1-14-6-10(15)18-12(19-11(16)7-14)8-4-3-5-9(13-8)17-2/h3-5H,6-7H2,1-2H3
InChIKey
WBXOGDARCSEVBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
65.86
TPSA
77.96

LogP / Solubility

WLOGP
-1.18
MLOGP
-1.03
XLogP3
-1.18
Consensus LogP
-1.13
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
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)
-5.17

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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