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CAS 36016-39-4 1,1-dimethylethyl [[(2,4,6-trimethylphenyl)sulphonyl]oxy]carbamate molecular structure lightbox
CAS RN: 36016-39-4

1,1-dimethylethyl [[(2,4,6-trimethylphenyl)sulphonyl]oxy]carbamate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251024 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong 5-7 business days Inquiry
  • Product code: SSC-143120
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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: 0.25g, 1g, 5g, 10g
  • 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 36016-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

36016-39-4 / [(2-methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate

Standard CAS: 36016-39-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36016-39-4
Multi CAS
No
Molecular Formula
C14H21NO5S
Molecular Weight
315.390000
Exact Mass
315.114044
InChI
InChI=1S/C14H21NO5S/c1-9-7-10(2)12(11(3)8-9)21(17,18)20-15-13(16)19-14(4,5)6/h7-8H,1-6H3,(H,15,16)
InChIKey
WVMDSNGINQNHLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.29
TPSA
81.7

LogP / Solubility

WLOGP
2.76
MLOGP
2.44
XLogP3
3.2
Consensus LogP
2.8
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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