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CAS 80-77-3 Chlormezanone molecular structure lightbox
CAS RN: 80-77-3

Chlormezanone

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250707 100mg In stock Inquiry
Batchno.20250621 250mg In stock Inquiry
  • Product code: SSC-189013
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 80-77-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

80-77-3 / 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one

Standard CAS: 80-77-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
80-77-3
Multi CAS
Yes
Molecular Formula
C11H12CLNO3S
Molecular Weight
273.740000
Exact Mass
273.022642
InChI
InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey
WEQAYVWKMWHEJO-UHFFFAOYSA-N

Physical Properties

Melting Point
116.2-118.6 116.2-118.2 °C 116.2 °C
Physical Description
Solid
Appearance
CRYSTALS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
65.37
TPSA
54.45

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.1
Consensus LogP
1.38
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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