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CAS 82382-23-8 Sulconazle Nitrate molecular structure lightbox
CAS RN: 82382-23-8

Sulconazle Nitrate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 200mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS82382-23-8
  • Purity/Analytical Methods: >99.0%
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82382-23-8 / 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid

Standard CAS: 82382-23-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82382-23-8
Multi CAS
Yes
Molecular Formula
C18H16CL3N3O3S
Molecular Weight
460.800000
Exact Mass
458.997796
InChI
InChI=1S/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
InChIKey
CRKGMGQUHDNAPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
112.96
TPSA
81.19

LogP / Solubility

WLOGP
6.17
MLOGP
5.46
XLogP3
6.17
Consensus LogP
5.93
Log S (ESOL)
-6.64
Class (ESOL)
Insoluble
Log S (Ali)
-7.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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