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CAS 558-42-9 1-Chloro-2-methyl-2-propanol molecular structure lightbox
CAS RN: 558-42-9

1-Chloro-2-methyl-2-propanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 5ml / 25ml / 100ml Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-163755
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 558-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 4 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Shanghai Inquiry
100g >97% 0 Out of Stock Beijing Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry
1000g >97% 0 Out of Stock Hong Kong Inquiry

558-42-9 / 1-chloro-2-methylpropan-2-ol

Standard CAS: 558-42-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
558-42-9
Multi CAS
Yes
Molecular Formula
C4H9CLO
Molecular Weight
108.570000
Exact Mass
108.034193
InChI
InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3
InChIKey
JNOZGFXJZQXOSU-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear dark yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.02
TPSA
20.23

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
0.8
Consensus LogP
0.89
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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)
-2.68

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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