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CAS 40560-29-0 (S)-(+)-1-Chloro-2-methylbutane molecular structure lightbox
CAS RN: 40560-29-0

(S)-(+)-1-Chloro-2-methylbutane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 1ml / 5ml Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-148817
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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: 10ml
  • 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 40560-29-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml ＞95% 0 Out of Stock Beijing Inquiry

40560-29-0 / 1-chloro-2-methylbutane

Standard CAS: 40560-29-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40560-29-0
Multi CAS
Yes
Molecular Formula
C5H11CL
Molecular Weight
106.590000
Exact Mass
106.054928
InChI
InChI=1S/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChIKey
IWAKWOFEHSYKSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
30.17
TPSA
0.0000

LogP / Solubility

WLOGP
2.27
MLOGP
1.99
XLogP3
2.5
Consensus LogP
2.25
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-1.76

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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