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CAS 69640-38-6 Phenol, 2,4-dichloro-6-(3,4,5-trichloro-1H-pyrrol-2-yl)- molecular structure lightbox
CAS RN: 69640-38-6

Phenol, 2,4-dichloro-6-(3,4,5-trichloro-1H-pyrrol-2-yl)-

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 100mg In stock Shanghai Inquiry
Batchno.20251217 1g In stock Shanghai Inquiry
Batchno.20251121 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS69640-38-6
  • Purity/Analytical Methods: >99.0%
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69640-38-6 / 2,4-dichloro-6-(3,4,5-trichloro-1H-pyrrol-2-yl)phenol

Standard CAS: 69640-38-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69640-38-6
Multi CAS
Yes
Molecular Formula
C10H4CL5NO
Molecular Weight
331.400000
Exact Mass
330.870602
InChI
InChI=1S/C10H4Cl5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H
InChIKey
FBRLLYYPGGXCKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
72.94
TPSA
36.02

LogP / Solubility

WLOGP
5.65
MLOGP
4.99
XLogP3
5.5
Consensus LogP
5.38
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.73

Drug-likeness / Medicinal Chemistry

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

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