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CAS 99314-44-0 3-METHYL-3-(TOLUENESULFONYLOXYMETHYL)OXETANE molecular structure lightbox
CAS RN: 99314-44-0

3-METHYL-3-(TOLUENESULFONYLOXYMETHYL)OXETANE

Product Availability

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250323 10g Out of stock Inquiry
Batchno.20251122 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250908 1g / 5g / 10g / 25g Out of stock 3-5 business days Inquiry
Batchno.20260105 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250406 25g In stock Shenzhen Inquiry
Batchno.20250522 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-213087
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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: 5g
  • 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 99314-44-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

99314-44-0 / (3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate

Standard CAS: 99314-44-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99314-44-0
Multi CAS
Yes
Molecular Formula
C12H16O4S
Molecular Weight
256.320000
Exact Mass
256.076930
InChI
InChI=1S/C12H16O4S/c1-10-3-5-11(6-4-10)17(13,14)16-9-12(2)7-15-8-12/h3-6H,7-9H2,1-2H3
InChIKey
PZOQQSOZRVZCMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
63.24
TPSA
52.6

LogP / Solubility

WLOGP
1.74
MLOGP
1.54
XLogP3
1.7
Consensus LogP
1.66
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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