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CAS 364631-73-2 tert-Butyl (5-forMyl-2,2-diMethyl-1,3-dioxan-5-yl)carbaMate molecular structure lightbox
CAS RN: 364631-73-2

tert-Butyl (5-forMyl-2,2-diMethyl-1,3-dioxan-5-yl)carbaMate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251213 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260213 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251219 1g In stock Tianjin Inquiry
Batchno.20250114 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-143637
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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: ≥95%
  • 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 364631-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

364631-73-2 / tert-butyl N-(5-formyl-2,2-dimethyl-1,3-dioxan-5-yl)carbamate

Standard CAS: 364631-73-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
364631-73-2
Multi CAS
No
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
InChI
InChI=1S/C12H21NO5/c1-10(2,3)18-9(15)13-12(6-14)7-16-11(4,5)17-8-12/h6H,7-8H2,1-5H3,(H,13,15)
InChIKey
YZRONBRDHNAYCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.15
TPSA
73.86

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
0.5
Consensus LogP
0.94
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-3.43

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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