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CAS 78587-05-0 Hexythiazox molecular structure lightbox
CAS RN: 78587-05-0

Hexythiazox

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5 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260617 1g Out of stock Inquiry
Batchno.20250203 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250619 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260310 1ml In stock Inquiry
  • Product code: ICTH1699
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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78587-05-0 / (4S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide

Standard CAS: 78587-05-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78587-05-0
Multi CAS
Yes
Molecular Formula
C17H21CLN2O2S
Molecular Weight
352.900000
Exact Mass
352.101227
InChI
InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15?/m0/s1
InChIKey
XGWIJUOSCAQSSV-VPHXOMNUSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.89
TPSA
49.41

LogP / Solubility

WLOGP
4.98
MLOGP
4.4
XLogP3
4.5
Consensus LogP
4.63
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.34

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
3.5

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