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CAS 81777-95-9 3-Isoxazolidinone, 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl- molecular structure lightbox
CAS RN: 81777-95-9

3-Isoxazolidinone, 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260603 1g In stock Shanghai Inquiry
Batchno.20260214 250mg In stock Shanghai Inquiry
Batchno.20250611 5g In stock Shanghai Inquiry
  • Product code: SSC-190109
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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: ＞97%
  • 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 81777-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

81777-95-9 / 2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

Standard CAS: 81777-95-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81777-95-9
Multi CAS
Yes
Molecular Formula
C12H13CL2NO2
Molecular Weight
274.140000
Exact Mass
273.032334
InChI
InChI=1S/C12H13Cl2NO2/c1-12(2)7-17-15(11(12)16)6-8-3-4-9(13)5-10(8)14/h3-5H,6-7H2,1-2H3
InChIKey
FHUKASKVKWSLCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
66.75
TPSA
29.54

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
3.2
Consensus LogP
3.13
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly 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)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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