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CAS 71527-73-6 Bis(2,4,5-trichloro-6-i-pentoxycarbonylphenyl) oxalate molecular structure lightbox
CAS RN: 71527-73-6

Bis(2,4,5-trichloro-6-i-pentoxycarbonylphenyl) oxalate

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260609 25g / 100g / 500g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250131 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS71527-73-6
  • Purity/Analytical Methods: >99.0%
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71527-73-6 / bis[3,4,6-trichloro-2-(3-methylbutoxycarbonyl)phenyl] oxalate

Standard CAS: 71527-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71527-73-6
Multi CAS
No
Molecular Formula
C26H24CL6O8
Molecular Weight
677.200000
Exact Mass
675.957284
InChI
InChI=1S/C26H24Cl6O8/c1-11(2)5-7-37-23(33)17-19(31)13(27)9-15(29)21(17)39-25(35)26(36)40-22-16(30)10-14(28)20(32)18(22)24(34)38-8-6-12(3)4/h9-12H,5-8H2,1-4H3
InChIKey
IXPBBMANVMGMBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
10
H-bond acceptors
8
Molar refractivity
153.69
TPSA
105.2

LogP / Solubility

WLOGP
8.52
MLOGP
7.56
XLogP3
10.4
Consensus LogP
8.83
Log S (ESOL)
-8.97
Class (ESOL)
Insoluble
Log S (Ali)
-11.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.8

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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