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CAS 10503-96-5 Butyl 2-Chloroethyl Ether molecular structure lightbox
CAS RN: 10503-96-5

Butyl 2-Chloroethyl Ether

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250810 1ml In stock Inquiry
  • Product code: SSC-006810
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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: 100g
  • 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 10503-96-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

10503-96-5 / 1-(2-chloroethoxy)butane

1-(2-Chloroethoxy)butane | DTXSID50338007 | RefChem:1053936

Standard CAS: 10503-96-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10503-96-5
Multi CAS
No
Molecular Formula
C6H13ClO
Molecular Weight
136.620000
Exact Mass
136.065493
SMILES
CCCCOCCCl
InChI
InChI=1S/C6H13ClO/c1-2-3-5-8-6-4-7/h2-6H2,1H3
InChIKey
OJMVRGXLTANFRG-UHFFFAOYSA-N
Synonyms
1-(2-Chloroethoxy)butane DTXSID50338007 RefChem:1053936 DTXCID40289094 2-Chloroethyl n-Butyl Ether

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
36.45
TPSA
9.23

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.1
Consensus LogP
1.98
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.1

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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