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CAS 1202-39-7 3,4-Dichlorocinnamic acid molecular structure lightbox
CAS RN: 1202-39-7

3,4-Dichlorocinnamic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260401 100g In stock Inquiry
Batchno.20260126 25g In stock Inquiry
Batchno.20251105 5g In stock Inquiry
  • Product code: SSC-021031
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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, 10g, 25g, 100g
  • 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 1202-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

1202-39-7 / (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid

3-(3,4-dichlorophenyl)prop-2-enoic acid | Enamine_005463 | 3,4-dichloro cinnamic acid

Standard CAS: 1202-39-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1202-39-7
Multi CAS
Yes
Molecular Formula
C9H6Cl2O2
Molecular Weight
217.050000
Exact Mass
215.974485
SMILES
C1=CC(=C(C=C1/C=C/C(=O)O)Cl)Cl
InChI
InChI=1S/C9H6Cl2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey
RRLUFPHCTSFKNR-DUXPYHPUSA-N
Synonyms
3-(3,4-dichlorophenyl)prop-2-enoic acid Enamine_005463 3,4-dichloro cinnamic acid 3,4-dichloro-cinnamic acid SCHEMBL1124517

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.13
TPSA
37.3

LogP / Solubility

WLOGP
3.09
MLOGP
2.72
XLogP3
3.1
Consensus LogP
2.97
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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