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CAS 6001-64-5 1,1,1-Trichloro-2-methyl-2-propanol Hemihydrate molecular structure lightbox
CAS RN: 6001-64-5

1,1,1-Trichloro-2-methyl-2-propanol Hemihydrate

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 100g In stock Inquiry
Batchno.20260618 25g In stock Inquiry
Batchno.20250109 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250215 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260114 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250523 1kg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250227 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250501 500g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-168590
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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: 10g
  • Available purity: ≥98%
  • 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 6001-64-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry

6001-64-5 / bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate

Standard CAS: 6001-64-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6001-64-5
Multi CAS
Yes
Molecular Formula
C8H16CL6O3
Molecular Weight
372.900000
Exact Mass
371.920110
InChI
InChI=1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2
InChIKey
WRWLCXJYIMRJIN-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.79
TPSA
71.96

LogP / Solubility

WLOGP
3.43
MLOGP
3.04
XLogP3
3.43
Consensus LogP
3.3
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.56

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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