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CAS 1630193-77-9 2,5-Dimethoxypyridine-4-boronic acid molecular structure lightbox
CAS RN: 1630193-77-9

2,5-Dimethoxypyridine-4-boronic acid

  • Product code: SSC-070562
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1630193-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1630193-77-9 / (2,5-dimethoxy-4-pyridinyl)boronic acid

Standard CAS: 1630193-77-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1630193-77-9
Multi CAS
No
Molecular Formula
C7H10BNO4
Molecular Weight
182.970000
Exact Mass
183.070288
SMILES
B(C1=CC(=NC=C1OC)OC)(O)O
InChI
InChI=1S/C7H10BNO4/c1-12-6-4-9-7(13-2)3-5(6)8(10)11/h3-4,10-11H,1-2H3
InChIKey
USYZNFPWBSJVMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
47.17
TPSA
71.81

LogP / Solubility

WLOGP
-1.22
MLOGP
-1.08
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
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)
-4.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (60%): Toxic if inhaled [Danger Acute toxicity, inhalation] H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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