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CAS 21087-29-6 Cinnamyl chloride molecular structure lightbox
CAS RN: 21087-29-6

Cinnamyl chloride

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251026 100g In stock Shanghai, Guangdong Inquiry
Batchno.20250307 2.5kg In stock Shanghai Inquiry
Batchno.20260522 25g In stock Shanghai, Shandong Inquiry
Batchno.20250107 500g In stock Shanghai, Chongqing Inquiry
Batchno.20260628 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-100537
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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: ≥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 21087-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

21087-29-6 / [(E)-3-chloroprop-1-enyl]benzene

Standard CAS: 21087-29-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
21087-29-6
Multi CAS
No
Molecular Formula
C9H9Cl
Molecular Weight
152.620000
Exact Mass
152.039278
SMILES
C1=CC=C(C=C1)/C=C/CCl
InChI
InChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKey
IWTYTFSSTWXZFU-QPJJXVBHSA-N

Physical Properties

Physical Description
Yellow liquid; Clear yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
Molar refractivity
46.2
TPSA
0.0000

LogP / Solubility

WLOGP
2.94
MLOGP
2.58
XLogP3
3.2
Consensus LogP
2.91
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
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)
-1.56

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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