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CAS 364631-72-1 tert-Butyl [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate molecular structure lightbox
CAS RN: 364631-72-1

tert-Butyl [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate

  • Product code: SSC-143636
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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 364631-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

364631-72-1 / tert-butyl N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate

Standard CAS: 364631-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
364631-72-1
Multi CAS
No
Molecular Formula
C12H23NO5
Molecular Weight
261.310000
Exact Mass
261.157623
InChI
InChI=1S/C12H23NO5/c1-10(2,3)18-9(15)13-12(6-14)7-16-11(4,5)17-8-12/h14H,6-8H2,1-5H3,(H,13,15)
InChIKey
UIDPKGWXTKYSPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
65.17
TPSA
77.02

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
0.3
Consensus LogP
0.75
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.59

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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