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CAS 1357946-36-1 4-(chloroMethyl)-2-isopropoxypyridine hydrochloride molecular structure lightbox
CAS RN: 1357946-36-1

4-(chloroMethyl)-2-isopropoxypyridine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-044410
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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: 0.25g
  • 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 1357946-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1357946-36-1 / 4-(chloromethyl)-2-propan-2-yloxypyridine;hydrochloride

Standard CAS: 1357946-36-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357946-36-1
Multi CAS
No
Molecular Formula
C9H13Cl2NO
Molecular Weight
222.110000
Exact Mass
221.037419
SMILES
CC(C)OC1=NC=CC(=C1)CCl.Cl
InChI
InChI=1S/C9H12ClNO.ClH/c1-7(2)12-9-5-8(6-10)3-4-11-9;/h3-5,7H,6H2,1-2H3;1H
InChIKey
VLHDBMAILUWRIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.81
TPSA
22.12

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-1.92

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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