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CAS 2419-74-1 1,4-Dichloro-2-butanol molecular structure lightbox
CAS RN: 2419-74-1

1,4-Dichloro-2-butanol

  • Product code: SSC-118207
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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: ≥97%
  • 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 2419-74-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

2419-74-1 / 1,4-dichlorobutan-2-ol

Standard CAS: 2419-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2419-74-1
Multi CAS
No
Molecular Formula
C4H8Cl2O
Molecular Weight
143.010000
Exact Mass
141.995220
SMILES
C(CCl)C(CCl)O
InChI
InChI=1S/C4H8Cl2O/c5-2-1-4(7)3-6/h4,7H,1-3H2
InChIKey
CKNNDWZSFAPUJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.06
TPSA
20.23

LogP / Solubility

WLOGP
1.22
MLOGP
1.06
XLogP3
1.1
Consensus LogP
1.13
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.73

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
2

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