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CAS 321-55-1 haloxon molecular structure lightbox
CAS RN: 321-55-1

haloxon

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS321-55-1
  • Purity/Analytical Methods: >99.0%
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321-55-1 / bis(2-chloroethyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate

Standard CAS: 321-55-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
321-55-1
Multi CAS
Yes
Molecular Formula
C14H14CL3O6P
Molecular Weight
415.600000
Exact Mass
413.959358
InChI
InChI=1S/C14H14Cl3O6P/c1-9-11-3-2-10(8-12(11)22-14(18)13(9)17)23-24(19,20-6-4-15)21-7-5-16/h2-3,8H,4-7H2,1H3
InChIKey
KULDXINYXFTXMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
93.81
TPSA
74.97

LogP / Solubility

WLOGP
4.75
MLOGP
4.21
XLogP3
3.3
Consensus LogP
4.09
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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