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CAS 65899-73-2 Vagistat molecular structure lightbox
CAS RN: 65899-73-2

Vagistat

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250227 1g In stock Shanghai Inquiry
Batchno.20260108 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260301 25g Out of stock Inquiry
Batchno.20260322 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS65899-73-2
  • Purity/Analytical Methods: >99.0%
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65899-73-2 / 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

Standard CAS: 65899-73-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
65899-73-2
Multi CAS
Yes
Molecular Formula
C16H13CL3N2OS
Molecular Weight
387.700000
Exact Mass
385.981417
InChI
InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2
InChIKey
QXHHHPZILQDDPS-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
95.55
TPSA
27.05

LogP / Solubility

WLOGP
5.86
MLOGP
5.18
XLogP3
5.3
Consensus LogP
5.45
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.77
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
Yes
Log Kp (skin permeation)
-0.92

Drug-likeness / Medicinal Chemistry

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

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