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CAS 104-97-2 Cyclopentylpropionyl chloride molecular structure lightbox
CAS RN: 104-97-2

Cyclopentylpropionyl chloride

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250512 100g In stock Inquiry
Batchno.20251028 25g In stock Inquiry
Batchno.20251123 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20251202 100g Out of stock Inquiry
Batchno.20260120 25g Out of stock Inquiry
Batchno.20260106 5g In stock Inquiry
  • Product code: SSC-005759
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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 104-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

104-97-2 / 3-cyclopentylpropanoyl chloride

3-Cyclopentylpropionyl chloride | EINECS 203-257-9 | DTXSID00146210

Standard CAS: 104-97-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104-97-2
Multi CAS
Yes
Molecular Formula
C8H13ClO
Molecular Weight
160.640000
Exact Mass
160.065493
SMILES
C1CCC(C1)CCC(=O)Cl
InChI
InChI=1S/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2
InChIKey
SZQVEGOXJYTLLB-UHFFFAOYSA-N
Synonyms
3-Cyclopentylpropionyl chloride EINECS 203-257-9 DTXSID00146210 RefChem:500885 DTXCID8068701

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
42.05
TPSA
17.07

LogP / Solubility

WLOGP
2.72
MLOGP
2.39
XLogP3
3.3
Consensus LogP
2.8
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-1.77

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (10.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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