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CAS 29559-55-5 2,2-Dimethyl-1,3-dichloropropane molecular structure lightbox
CAS RN: 29559-55-5

2,2-Dimethyl-1,3-dichloropropane

  • Product code: SSC-132541
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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: 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 29559-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

29559-55-5 / 1,3-dichloro-2,2-dimethylpropane

Standard CAS: 29559-55-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29559-55-5
Multi CAS
Yes
Molecular Formula
C5H10CL2
Molecular Weight
141.040000
Exact Mass
140.015956
InChI
InChI=1S/C5H10Cl2/c1-5(2,3-6)4-7/h3-4H2,1-2H3
InChIKey
KTWNITKLQPCZSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
35.22
TPSA
0.0000

LogP / Solubility

WLOGP
2.49
MLOGP
2.18
XLogP3
2.6
Consensus LogP
2.42
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-1.81

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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