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CAS 1201-99-6 TRANS-2,4-DICHLOROCINNAMIC ACID molecular structure lightbox
CAS RN: 1201-99-6

TRANS-2,4-DICHLOROCINNAMIC ACID

  • Product code: SSC-020883
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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: ＞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 1201-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

1201-99-6 / 3-(2,4-dichlorophenyl)prop-2-enoic acid

DTXSID00870866 | 2-Propenoic acid, 3-(2,4-dichlorophenyl)- | 80I2S2M8GW

Standard CAS: 1201-99-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1201-99-6
Multi CAS
Yes
Molecular Formula
C9H6Cl2O2
Molecular Weight
217.050000
Exact Mass
215.974485
SMILES
C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O
InChI
InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)
InChIKey
MEBWABJHRAYGFW-UHFFFAOYSA-N
Synonyms
DTXSID00870866 2-Propenoic acid, 3-(2,4-dichlorophenyl)- 80I2S2M8GW NSC-2076 RefChem:908746

Physical Properties

Physical Description
White powder
State
Solid

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
Consensus LogP
2.94
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

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