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CAS 19635-52-0 PENTACHLOROBENZALDEHYDE molecular structure lightbox
CAS RN: 19635-52-0

PENTACHLOROBENZALDEHYDE

  • Product code: starshine_CAS19635-52-0
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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: 0.1g, 0.25g, 1g
  • 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 19635-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g 95%+ 0 Out of Stock Shanghai Inquiry
0.25g 95%+ 0 Out of Stock Beijing Inquiry
1g 95%+ 0 Out of Stock Hong Kong Inquiry

19635-52-0 / 2,3,4,5,6-pentachlorobenzaldehyde

Standard CAS: 19635-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19635-52-0
Multi CAS
No
Molecular Formula
C7HCl5O
Molecular Weight
278.300000
Exact Mass
277.844053
SMILES
C(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C7HCl5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
InChIKey
XFFTWZZGUGZURK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
56.88
TPSA
17.07

LogP / Solubility

WLOGP
4.77
MLOGP
4.2
XLogP3
4.5
Consensus LogP
4.49
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.03

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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