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CAS 84006-10-0 2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine molecular structure lightbox
CAS RN: 84006-10-0

2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine

  • Product code: SSC-191650
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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
  • 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 84006-10-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

84006-10-0 / 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine

Standard CAS: 84006-10-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84006-10-0
Multi CAS
Yes
Molecular Formula
C9H12CLNO
Molecular Weight
185.650000
Exact Mass
185.060742
InChI
InChI=1S/C9H12ClNO/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4H2,1-3H3
InChIKey
SRKVJDYNPSMHJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
49.82
TPSA
22.12

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
2
Consensus LogP
2.2
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-2.12

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

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